2-[2-(2,4-difluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]pyridine-4-carboxamide

• ChemBase ID: 696844
• Molecular Formular: C18H15F2N5O
• Molecular Mass: 355.3414064
• Monoisotopic Mass: 355.12446657
• SMILES: c1(nc2c([nH]1)CCN(c1cc(C(=O)N)ccn1)C2)c1c(cc(cc1)F)F
• Canonical SMILES: Fc1ccc(c(c1)F)c1nc2c([nH]1)CCN(C2)c1nccc(c1)C(=O)N
• InChI: InChI=1S/C18H15F2N5O/c19-11-1-2-12(13(20)8-11)18-23-14-4-6-25(9-15(14)24-18)16-7-10(17(21)26)3-5-22-16/h1-3,5,7-8H,4,6,9H2,(H2,21,26)(H,23,24)
• InChIKey: XKGHJGBLQQIABQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2,4-difluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]pyridine-4-carboxamide
• IUPAC Traditional name: 2-[2-(2,4-difluorophenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]pyridine-4-carboxamide
• Synonyms: 2-[2-(2,4-difluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]isonicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.782042
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6690786
• LogD (pH = 7.4): 2.0309033
• Log P: 2.0375524
• Molar Refractivity: 103.5987 cm^3
• Polarizability: 34.192722 Å^3
• Polar Surface Area: 87.9 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: 1.46
• LOG S: -3.04
• Polar Surface Area: 87.9 Å^2
• Rotatable Bonds: 3