N-cyclopropyl-3-[2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]propanamide

• ChemBase ID: 718572
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: n1c2c([nH]c1c1ccc(cc1)OC)CCN(C2)CCC(=O)NC1CC1
• Canonical SMILES: COc1ccc(cc1)c1nc2c([nH]1)CCN(C2)CCC(=O)NC1CC1
• InChI: InChI=1S/C19H24N4O2/c1-25-15-6-2-13(3-7-15)19-21-16-8-10-23(12-17(16)22-19)11-9-18(24)20-14-4-5-14/h2-3,6-7,14H,4-5,8-12H2,1H3,(H,20,24)(H,21,22)
• InChIKey: ULHAXDBSEIVSBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]propanamide
• IUPAC Traditional name: N-cyclopropyl-3-[2-(4-methoxyphenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]propanamide
• Synonyms: N-cyclopropyl-3-[2-(4-methoxyphenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.324024
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2646624
• LogD (pH = 7.4): 0.5512196
• Log P: 1.0732256
• Molar Refractivity: 106.6097 cm^3
• Polarizability: 37.689384 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.36
• LOG S: -2.84
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 6