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

• ChemBase ID: 529972
• Molecular Formular: C19H21N7O2
• Molecular Mass: 379.41574
• Monoisotopic Mass: 379.17567295
• SMILES: c1(nc2n(c1)cccn2)C(=O)N1Cc2n(nc(c2)CCC(=O)NC2CC2)CC1
• Canonical SMILES: O=C(NC1CC1)CCc1nn2c(c1)CN(CC2)C(=O)c1cn2c(n1)nccc2
• InChI: InChI=1S/C19H21N7O2/c27-17(21-13-2-3-13)5-4-14-10-15-11-24(8-9-26(15)23-14)18(28)16-12-25-7-1-6-20-19(25)22-16/h1,6-7,10,12-13H,2-5,8-9,11H2,(H,21,27)
• InChIKey: GHGDLUWPCNJLTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.071956
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.76958185
• LogD (pH = 7.4): -0.76952285
• Log P: -0.7695221
• Molar Refractivity: 114.1288 cm^3
• Polarizability: 38.038452 Å^3
• Polar Surface Area: 97.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -2.21
• LOG S: -1.39
• Polar Surface Area: 97.42 Å^2
• Rotatable Bonds: 5