N-cyclopropyl-3-(5-{imidazo[1,2-a]pyridine-3-carbonyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide

• ChemBase ID: 670523
• Molecular Formular: C20H22N6O2
• Molecular Mass: 378.42768
• Monoisotopic Mass: 378.18042397
• SMILES: c1(n2c(nc1)cccc2)C(=O)N1Cc2n(nc(c2)CCC(=O)NC2CC2)CC1
• Canonical SMILES: O=C(NC1CC1)CCc1nn2c(c1)CN(CC2)C(=O)c1cnc2n1cccc2
• InChI: InChI=1S/C20H22N6O2/c27-19(22-14-4-5-14)7-6-15-11-16-13-24(9-10-26(16)23-15)20(28)17-12-21-18-3-1-2-8-25(17)18/h1-3,8,11-12,14H,4-7,9-10,13H2,(H,22,27)
• InChIKey: FVAXQINJLAUWAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-(5-{imidazo[1,2-a]pyridine-3-carbonyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide
• IUPAC Traditional name: N-cyclopropyl-3-(5-{imidazo[1,2-a]pyridine-3-carbonyl}-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl)propanamide
• Synonyms: N-cyclopropyl-3-[5-(imidazo[1,2-a]pyridin-3-ylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.196171
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.36416715
• LogD (pH = 7.4): -0.28425822
• Log P: -0.28311676
• Molar Refractivity: 115.5251 cm^3
• Polarizability: 38.88397 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: 4
• H Donor: 1
• Log P: -0.99
• LOG S: -2.42
• Polar Surface Area: 84.53 Å^2
• Rotatable Bonds: 5