N-cyclopentyl-1-methyl-5-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 706743
• Molecular Formular: C22H26N6O2
• Molecular Mass: 406.48084
• Monoisotopic Mass: 406.2117241
• SMILES: c12c(nn(c1CCN(C(=O)c1nc3n(c1)ccc(c3)C)C2)C)C(=O)NC1CCCC1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)C(=O)N1CCc2c(C1)c(nn2C)C(=O)NC1CCCC1
• InChI: InChI=1S/C22H26N6O2/c1-14-7-9-27-13-17(24-19(27)11-14)22(30)28-10-8-18-16(12-28)20(25-26(18)2)21(29)23-15-5-3-4-6-15/h7,9,11,13,15H,3-6,8,10,12H2,1-2H3,(H,23,29)
• InChIKey: DJISIFVLBYVTBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-1-methyl-5-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-1-methyl-5-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopentyl-1-methyl-5-[(7-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.112358
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6504123
• LogD (pH = 7.4): 1.6551427
• Log P: 1.6552035
• Molar Refractivity: 126.3072 cm^3
• Polarizability: 42.2002 Å^3
• Polar Surface Area: 84.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.63
• LOG S: -6.56
• Polar Surface Area: 84.53 Å^2
• Rotatable Bonds: 3