N-cyclopentyl-2-(3-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carboxamide

• ChemBase ID: 753319
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: n1c2c([nH]c1c1cc(OC)ccc1)CCN(C(=O)NC1CCCC1)C2
• Canonical SMILES: COc1cccc(c1)c1nc2c([nH]1)CCN(C2)C(=O)NC1CCCC1
• InChI: InChI=1S/C19H24N4O2/c1-25-15-8-4-5-13(11-15)18-21-16-9-10-23(12-17(16)22-18)19(24)20-14-6-2-3-7-14/h4-5,8,11,14H,2-3,6-7,9-10,12H2,1H3,(H,20,24)(H,21,22)
• InChIKey: MYYYCFVOMOFLLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-(3-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carboxamide
• IUPAC Traditional name: N-cyclopentyl-2-(3-methoxyphenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carboxamide
• Synonyms: N-cyclopentyl-2-(3-methoxyphenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.678306
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.731679
• LogD (pH = 7.4): 1.9440626
• Log P: 1.9476583
• Molar Refractivity: 106.1534 cm^3
• Polarizability: 37.380157 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.01
• LOG S: -4.25
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 3