4-(5-{imidazo[1,2-a]pyridine-2-carbonyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazole

• ChemBase ID: 463815
• Molecular Formular: C17H15N7O
• Molecular Mass: 333.3473
• Monoisotopic Mass: 333.13380814
• SMILES: c1(nc2n(c1)cccc2)C(=O)N1Cc2nc([nH]c2CC1)c1c[nH]nc1
• Canonical SMILES: O=C(c1nc2n(c1)cccc2)N1CCc2c(C1)nc([nH]2)c1cn[nH]c1
• InChI: InChI=1S/C17H15N7O/c25-17(14-10-23-5-2-1-3-15(23)20-14)24-6-4-12-13(9-24)22-16(21-12)11-7-18-19-8-11/h1-3,5,7-8,10H,4,6,9H2,(H,18,19)(H,21,22)
• InChIKey: OLVXFNLHAHNVCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-{imidazo[1,2-a]pyridine-2-carbonyl}-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazole
• IUPAC Traditional name: 4-(5-{imidazo[1,2-a]pyridine-2-carbonyl}-1H,4H,6H,7H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazole
• Synonyms: 5-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-2-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.113485
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.07689225
• LogD (pH = 7.4): 0.18929698
• Log P: 0.19100957
• Molar Refractivity: 103.5679 cm^3
• Polarizability: 34.42431 Å^3
• Polar Surface Area: 94.97 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: 0.05
• LOG S: -2.98
• Polar Surface Area: 94.97 Å^2
• Rotatable Bonds: 2