N-[1-(1-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)-1H-pyrazol-5-yl]cyclopropanecarboxamide

• ChemBase ID: 355137
• Molecular Formular: C20H21ClN6O2
• Molecular Mass: 412.87274
• Monoisotopic Mass: 412.14145162
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)N1CCC(n2c(NC(=O)C3CC3)ccn2)CC1
• Canonical SMILES: O=C(C1CC1)Nc1ccnn1C1CCN(CC1)C(=O)c1cn2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C20H21ClN6O2/c21-14-3-4-17-23-16(12-26(17)11-14)20(29)25-9-6-15(7-10-25)27-18(5-8-22-27)24-19(28)13-1-2-13/h3-5,8,11-13,15H,1-2,6-7,9-10H2,(H,24,28)
• InChIKey: NSPOQKCCQCNENL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)-1H-pyrazol-5-yl]cyclopropanecarboxamide
• IUPAC Traditional name: N-[2-(1-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)pyrazol-3-yl]cyclopropanecarboxamide
• Synonyms: N-(1-{1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)carbonyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.441411
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3876816
• LogD (pH = 7.4): 1.3919222
• Log P: 1.391977
• Molar Refractivity: 121.1809 cm^3
• Polarizability: 40.80241 Å^3
• Polar Surface Area: 84.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.64
• LOG S: -6.65
• Polar Surface Area: 84.53 Å^2
• Rotatable Bonds: 4