2-(cyclopentylmethyl)-N-{imidazo[1,2-a]pyridin-2-ylmethyl}-1-(2-methoxyethyl)-6-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide

• ChemBase ID: 503472
• Molecular Formular: C24H30N4O3
• Molecular Mass: 422.52
• Monoisotopic Mass: 422.23179084
• SMILES: c1(c(n(c(cc1=O)C)CCOC)CC1CCCC1)C(=O)NCc1nc2n(c1)cccc2
• Canonical SMILES: COCCn1c(C)cc(=O)c(c1CC1CCCC1)C(=O)NCc1nc2n(c1)cccc2
• InChI: InChI=1S/C24H30N4O3/c1-17-13-21(29)23(20(28(17)11-12-31-2)14-18-7-3-4-8-18)24(30)25-15-19-16-27-10-6-5-9-22(27)26-19/h5-6,9-10,13,16,18H,3-4,7-8,11-12,14-15H2,1-2H3,(H,25,30)
• InChIKey: CPLQLJIAMRBOGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentylmethyl)-N-{imidazo[1,2-a]pyridin-2-ylmethyl}-1-(2-methoxyethyl)-6-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 2-(cyclopentylmethyl)-N-{imidazo[1,2-a]pyridin-2-ylmethyl}-1-(2-methoxyethyl)-6-methyl-4-oxopyridine-3-carboxamide
• Synonyms: 2-(cyclopentylmethyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)-6-methyl-4-oxo-1,4-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.626137
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7539933
• LogD (pH = 7.4): 2.2756205
• Log P: 2.2897162
• Molar Refractivity: 123.4282 cm^3
• Polarizability: 45.762875 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.93
• LOG S: -5.04
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 7