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

• ChemBase ID: 733142
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: n12c(cc(n1)CCC(=O)NC1CC1)CN(Cc1nc(ccc1)C)CC2
• Canonical SMILES: O=C(NC1CC1)CCc1nn2c(c1)CN(CC2)Cc1cccc(n1)C
• InChI: InChI=1S/C19H25N5O/c1-14-3-2-4-17(20-14)12-23-9-10-24-18(13-23)11-16(22-24)7-8-19(25)21-15-5-6-15/h2-4,11,15H,5-10,12-13H2,1H3,(H,21,25)
• InChIKey: PQXZOESFXFPZAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-{5-[(6-methylpyridin-2-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• IUPAC Traditional name: N-cyclopropyl-3-{5-[(6-methylpyridin-2-yl)methyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• Synonyms: N-cyclopropyl-3-{5-[(6-methyl-2-pyridinyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.345827
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.49248654
• LogD (pH = 7.4): 0.5850584
• Log P: 0.64915246
• Molar Refractivity: 107.3525 cm^3
• Polarizability: 37.202362 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.6
• LOG S: -1.17
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6