2-(furan-2-yl)-5-{5-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyrimidine

• ChemBase ID: 786018
• Molecular Formular: C19H19N7O
• Molecular Mass: 361.40046
• Monoisotopic Mass: 361.16510826
• SMILES: c12C(N(Cc3cn(nc3)C)CCc1[nH]cn2)c1cnc(nc1)c1occc1
• Canonical SMILES: Cn1ncc(c1)CN1CCc2c(C1c1cnc(nc1)c1ccco1)nc[nH]2
• InChI: InChI=1S/C19H19N7O/c1-25-10-13(7-24-25)11-26-5-4-15-17(23-12-22-15)18(26)14-8-20-19(21-9-14)16-3-2-6-27-16/h2-3,6-10,12,18H,4-5,11H2,1H3,(H,22,23)
• InChIKey: TUSDQCFOKFECFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-5-{5-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyrimidine
• IUPAC Traditional name: 2-(furan-2-yl)-5-{5-[(1-methylpyrazol-4-yl)methyl]-1H,4H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyrimidine
• Synonyms: 4-[2-(2-furyl)pyrimidin-5-yl]-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.93762
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.03527628
• LogD (pH = 7.4): 0.9748852
• Log P: 1.0343515
• Molar Refractivity: 122.671 cm^3
• Polarizability: 38.34539 Å^3
• Polar Surface Area: 88.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.72
• LOG S: -2.53
• Polar Surface Area: 88.66 Å^2
• Rotatable Bonds: 4