5,7-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-(propan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 554538
• Molecular Formular: C17H23N5O2
• Molecular Mass: 329.39682
• Monoisotopic Mass: 329.185175
• SMILES: c1(nn2c(c1)nc(cc2C)C)C(=O)N(CC1NC(=O)CC1)C(C)C
• Canonical SMILES: CC(N(C(=O)c1cc2n(n1)c(C)cc(n2)C)CC1CCC(=O)N1)C
• InChI: InChI=1S/C17H23N5O2/c1-10(2)21(9-13-5-6-16(23)19-13)17(24)14-8-15-18-11(3)7-12(4)22(15)20-14/h7-8,10,13H,5-6,9H2,1-4H3,(H,19,23)
• InChIKey: UMBCWCJTINWWRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-(propan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-isopropyl-5,7-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: N-isopropyl-5,7-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.841958
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.74975836
• LogD (pH = 7.4): 0.7497625
• Log P: 0.74976265
• Molar Refractivity: 101.1411 cm^3
• Polarizability: 34.006367 Å^3
• Polar Surface Area: 79.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.45
• LOG S: -1.67
• Polar Surface Area: 79.6 Å^2
• Rotatable Bonds: 4