N-cyclopropyl-5-[6-methyl-2-(pyridin-3-yl)pyrimidin-4-yl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 852836
• Molecular Formular: C20H21N7O
• Molecular Mass: 375.42704
• Monoisotopic Mass: 375.18075833
• SMILES: c1(nn2c(c1)CN(c1nc(nc(c1)C)c1cnccc1)CC2)C(=O)NC1CC1
• Canonical SMILES: Cc1cc(nc(n1)c1cccnc1)N1CCn2c(C1)cc(n2)C(=O)NC1CC1
• InChI: InChI=1S/C20H21N7O/c1-13-9-18(24-19(22-13)14-3-2-6-21-11-14)26-7-8-27-16(12-26)10-17(25-27)20(28)23-15-4-5-15/h2-3,6,9-11,15H,4-5,7-8,12H2,1H3,(H,23,28)
• InChIKey: AUBZUMJHPMYGBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-[6-methyl-2-(pyridin-3-yl)pyrimidin-4-yl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-[6-methyl-2-(pyridin-3-yl)pyrimidin-4-yl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.166694
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.3759655
• LogD (pH = 7.4): 1.7916025
• Log P: 1.8006284
• Molar Refractivity: 127.5489 cm^3
• Polarizability: 39.581158 Å^3
• Polar Surface Area: 88.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.38
• LOG S: -3.11
• Polar Surface Area: 88.83 Å^2
• Rotatable Bonds: 4