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

• ChemBase ID: 371350
• Molecular Formular: C21H25N7O
• Molecular Mass: 391.4695
• Monoisotopic Mass: 391.21205846
• SMILES: c1(nn2c(c1)CN(c1nc(nc(c1)C(C)C)C)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: Cc1nc(cc(n1)C(C)C)N1CCn2c(C1)cc(n2)C(=O)NCc1ccccn1
• InChI: InChI=1S/C21H25N7O/c1-14(2)18-11-20(25-15(3)24-18)27-8-9-28-17(13-27)10-19(26-28)21(29)23-12-16-6-4-5-7-22-16/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,23,29)
• InChIKey: HHVIDQVZTUNTNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.901381
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.4535025
• LogD (pH = 7.4): 2.5264125
• Log P: 2.592088
• Molar Refractivity: 122.8428 cm^3
• Polarizability: 41.390503 Å^3
• Polar Surface Area: 88.83 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: 2.19
• LOG S: -2.63
• Polar Surface Area: 88.83 Å^2
• Rotatable Bonds: 5