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  2. N-[2-[(2R)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

N-[2-[(2R)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide

CS(=O)(=O)O.CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC Request for Quotation
Chemical Name: N-[2-[(2R)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
CAS Number: 118290-27-0
Product Number: AG0034FQ(AGN-PC-0DBHE7)
Synonyms:
MDL No:
Molecular Formula: C28H42N6O5S
Molecular Weight: 574.7353

Identification/Properties

Computed Properties
Molecular Weight:
574.741g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
9
Exact Mass:
574.294g/mol
Monoisotopic Mass:
574.294g/mol
Topological Polar Surface Area:
144A^2
Heavy Atom Count:
40
Formal Charge:
0
Complexity:
777
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound 11H-Pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide, N-[2-[2-[(dipropylamino)methyl]-1-piperidinyl]ethyl]-5,6-dihydro-6-oxo-, methanesulfonate (1:1) finds extensive application in chemical synthesis as a versatile building block. Due to its unique structural features and functional groups, this compound serves as a key intermediate in the preparation of various bioactive molecules and pharmaceuticals. Its conjugated system and presence of amide, piperidine, and dihydro-oxo functional groups offer opportunities for diversification through selective chemical modifications such as functional group transformations, reductions, oxidations, and cyclizations. Additionally, the methanesulfonate counterion in the compound provides a convenient handle for purification and isolation processes during chemical synthesis. The compound's strategic placement of functional groups and its stability under typical reaction conditions make it a valuable tool for chemists engaged in the synthesis of new compounds with potential biological activities.