N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide

• ChemBase ID: 369215
• Molecular Formular: C18H19F2N5O
• Molecular Mass: 359.3731664
• Monoisotopic Mass: 359.15576669
• SMILES: c12C(C(=O)NCCc3c4c([nH]c3C)c(cc(c4)F)F)NCCc2[nH]cn1
• Canonical SMILES: Fc1cc(F)c2c(c1)c(CCNC(=O)C1NCCc3c1nc[nH]3)c([nH]2)C
• InChI: InChI=1S/C18H19F2N5O/c1-9-11(12-6-10(19)7-13(20)15(12)25-9)2-4-22-18(26)17-16-14(3-5-21-17)23-8-24-16/h6-8,17,21,25H,2-5H2,1H3,(H,22,26)(H,23,24)
• InChIKey: WOGIRUJXDPODMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• IUPAC Traditional name: N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• Synonyms: N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.852831
• H Acceptors: 3
• H Donor: 4
• LogD (pH = 5.5): -0.005750093
• LogD (pH = 7.4): 1.1337066
• Log P: 1.2336977
• Molar Refractivity: 93.7717 cm^3
• Polarizability: 36.029797 Å^3
• Polar Surface Area: 85.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 4
• Log P: 0.33
• LOG S: -3.41
• Polar Surface Area: 85.6 Å^2
• Rotatable Bonds: 4