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

• ChemBase ID: 857709
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: n1c2c([nH]c1c1cc(OC)ccc1)CCN(C2)C(C(=O)NC(C)C)C
• Canonical SMILES: COc1cccc(c1)c1nc2c([nH]1)CCN(C2)C(C(=O)NC(C)C)C
• InChI: InChI=1S/C19H26N4O2/c1-12(2)20-19(24)13(3)23-9-8-16-17(11-23)22-18(21-16)14-6-5-7-15(10-14)25-4/h5-7,10,12-13H,8-9,11H2,1-4H3,(H,20,24)(H,21,22)
• InChIKey: FIPLULFUHNFANE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.191767
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.82695866
• LogD (pH = 7.4): 1.6787261
• Log P: 1.7127956
• Molar Refractivity: 108.3604 cm^3
• Polarizability: 38.42223 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.66
• LOG S: -3.97
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 5