4-[5-(5-methyl-1-propyl-1H-pyrazole-4-carbonyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl]pyridine

• ChemBase ID: 608760
• Molecular Formular: C19H22N6O
• Molecular Mass: 350.41758
• Monoisotopic Mass: 350.18550935
• SMILES: c1(C(=O)N2C(c3c(nc[nH]3)CC2)c2ccncc2)c(n(nc1)CCC)C
• Canonical SMILES: CCCn1ncc(c1C)C(=O)N1CCc2c(C1c1ccncc1)[nH]cn2
• InChI: InChI=1S/C19H22N6O/c1-3-9-25-13(2)15(11-23-25)19(26)24-10-6-16-17(22-12-21-16)18(24)14-4-7-20-8-5-14/h4-5,7-8,11-12,18H,3,6,9-10H2,1-2H3,(H,21,22)
• InChIKey: BSQDTCJUFNRFKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(5-methyl-1-propyl-1H-pyrazole-4-carbonyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl]pyridine
• IUPAC Traditional name: 4-[5-(5-methyl-1-propylpyrazole-4-carbonyl)-3H,4H,6H,7H-imidazo[4,5-c]pyridin-4-yl]pyridine
• Synonyms: 5-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-4-pyridin-4-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.118492
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.2586851
• LogD (pH = 7.4): 0.9186694
• Log P: 0.9402739
• Molar Refractivity: 110.5581 cm^3
• Polarizability: 37.08283 Å^3
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.7
• LOG S: -1.05
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 4