N-cyclopentyl-5-{imidazo[1,2-a]pyridine-2-carbonyl}-1-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 350103
• Molecular Formular: C24H30N6O2
• Molecular Mass: 434.534
• Monoisotopic Mass: 434.24302423
• SMILES: c12c(nn(c1CCN(C(=O)c1nc3n(c1)cccc3)C2)CC(C)C)C(=O)NC1CCCC1
• Canonical SMILES: CC(Cn1nc(c2c1CCN(C2)C(=O)c1nc2n(c1)cccc2)C(=O)NC1CCCC1)C
• InChI: InChI=1S/C24H30N6O2/c1-16(2)13-30-20-10-12-29(24(32)19-15-28-11-6-5-9-21(28)26-19)14-18(20)22(27-30)23(31)25-17-7-3-4-8-17/h5-6,9,11,15-17H,3-4,7-8,10,12-14H2,1-2H3,(H,25,31)
• InChIKey: RZYJDBSKYPBJLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-5-{imidazo[1,2-a]pyridine-2-carbonyl}-1-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-5-{imidazo[1,2-a]pyridine-2-carbonyl}-1-(2-methylpropyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopentyl-5-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-1-isobutyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.105563
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3816051
• LogD (pH = 7.4): 2.3860285
• Log P: 2.3860853
• Molar Refractivity: 135.0102 cm^3
• Polarizability: 45.9476 Å^3
• Polar Surface Area: 84.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.59
• LOG S: -6.98
• Polar Surface Area: 84.53 Å^2
• Rotatable Bonds: 4