6-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-7-methylpyrazolo[1,5-a]pyrimidine

• ChemBase ID: 714124
• Molecular Formular: C14H14N6O
• Molecular Mass: 282.30056
• Monoisotopic Mass: 282.1229091
• SMILES: c1(c(n2c(nc1)ccn2)C)C(=O)N1Cc2c([nH]cn2)CC1
• Canonical SMILES: O=C(c1cnc2n(c1C)ncc2)N1CCc2c(C1)nc[nH]2
• InChI: InChI=1S/C14H14N6O/c1-9-10(6-15-13-2-4-18-20(9)13)14(21)19-5-3-11-12(7-19)17-8-16-11/h2,4,6,8H,3,5,7H2,1H3,(H,16,17)
• InChIKey: MNYONUCYISZIDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-7-methylpyrazolo[1,5-a]pyrimidine
• IUPAC Traditional name: 6-{1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-7-methylpyrazolo[1,5-a]pyrimidine
• Synonyms: 5-[(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)carbonyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Polarizability: 28.232052 Å^3
• Polar Surface Area: 79.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 12.444683
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.9620267
• LogD (pH = 7.4): -0.4474735
• Log P: -0.43081048
• Molar Refractivity: 88.1378 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 79.18 Å^2
• Rotatable Bonds: 1
• H Acceptors: 4
• H Donor: 1
• Log P: -0.81
• LOG S: -1.88