1-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-4-([1,4]oxazepane-4-carbonyl)-1h-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

HCID 67012103

Notes Reactions

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Basic information

Standard SMILES: CC(C)N1CCC(NC(=O)c2nc3c(C(=O)N4CCCOCC4)cccc3n2CC(=O)Nc2ccc(Cl)cn2)CC1
InChIKey: BKFFPCHHRVBDAL-UHFFFAOYSA-N
Molecular formula: C29H36ClN7O4
Average molar mass: 582.1 g/mol

Names & identifiers

Preferred name: 1-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-4-([1,4]oxazepane-4-carbonyl)-1h-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide
IUPAC: 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-(1,4-oxazepane-4-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide

Names & synonyms

SCHEMBL1380230BKFFPCHHRVBDAL-UHFFFAOYSA-N1-[(5-chloro-pyridin-2-ylcarbamoyl)-methyl]-4-([1,4]oxazepane-4-carbonyl)-1h-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

Database identifiers

PubChem CID: 67012103

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 122 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 41
Formal charge: 0
Complexity: 918

Related reactions

1 records

New reaction record

HRID 18558As productuspto-grants-2010_06

Compound notes

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