N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 460525
• Molecular Formular: C15H20N6O
• Molecular Mass: 300.3589
• Monoisotopic Mass: 300.16985929
• SMILES: c1(c2c([nH]n1)CCN(C2)C)C(=O)Nc1n2c(nc1)CCCC2
• Canonical SMILES: CN1CCc2c(C1)c(n[nH]2)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C15H20N6O/c1-20-7-5-11-10(9-20)14(19-18-11)15(22)17-13-8-16-12-4-2-3-6-21(12)13/h8H,2-7,9H2,1H3,(H,17,22)(H,18,19)
• InChIKey: MIMFXQKMNOMQCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-methyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.248445
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8408203
• LogD (pH = 7.4): 0.1973187
• Log P: 0.4168833
• Molar Refractivity: 85.7889 cm^3
• Polarizability: 31.160355 Å^3
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.29
• LOG S: -2.95
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 2