5,7-dimethyl-N-{[1-(propan-2-yl)pyrrolidin-3-yl]methyl}pyrazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 607137
• Molecular Formular: C17H25N5O
• Molecular Mass: 315.4133
• Monoisotopic Mass: 315.20591045
• SMILES: c12n(nc(c1)C(=O)NCC1CN(CC1)C(C)C)c(cc(n2)C)C
• Canonical SMILES: CC(N1CCC(C1)CNC(=O)c1nn2c(c1)nc(cc2C)C)C
• InChI: InChI=1S/C17H25N5O/c1-11(2)21-6-5-14(10-21)9-18-17(23)15-8-16-19-12(3)7-13(4)22(16)20-15/h7-8,11,14H,5-6,9-10H2,1-4H3,(H,18,23)
• InChIKey: IWTDSEBJEGVOKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-N-{[1-(propan-2-yl)pyrrolidin-3-yl]methyl}pyrazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-[(1-isopropylpyrrolidin-3-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: N-[(1-isopropylpyrrolidin-3-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.925671
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0777504
• LogD (pH = 7.4): -0.7761311
• Log P: 1.3018488
• Molar Refractivity: 101.8546 cm^3
• Polarizability: 34.289783 Å^3
• Polar Surface Area: 62.53 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: 1.19
• LOG S: -2.52
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 4