N-cyclopropyl-5-[(8-hydroxyquinolin-2-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 334284
• Molecular Formular: C20H21N5O2
• Molecular Mass: 363.41304
• Monoisotopic Mass: 363.16952494
• SMILES: c1(nn2c(c1)CN(Cc1nc3c(O)cccc3cc1)CC2)C(=O)NC1CC1
• Canonical SMILES: O=C(c1nn2c(c1)CN(CC2)Cc1ccc2c(n1)c(O)ccc2)NC1CC1
• InChI: InChI=1S/C20H21N5O2/c26-18-3-1-2-13-4-5-15(21-19(13)18)11-24-8-9-25-16(12-24)10-17(23-25)20(27)22-14-6-7-14/h1-5,10,14,26H,6-9,11-12H2,(H,22,27)
• InChIKey: OKZUWSOMPSNIRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-[(8-hydroxyquinolin-2-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-[(8-hydroxyquinolin-2-yl)methyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-[(8-hydroxyquinolin-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.315106
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.6071621
• LogD (pH = 7.4): 1.6704901
• Log P: 1.6767443
• Molar Refractivity: 112.2195 cm^3
• Polarizability: 39.666367 Å^3
• Polar Surface Area: 83.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.59
• LOG S: -2.63
• Polar Surface Area: 83.28 Å^2
• Rotatable Bonds: 4