N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 345989
• Molecular Formular: C23H24N6O2
• Molecular Mass: 416.47566
• Monoisotopic Mass: 416.19607404
• SMILES: c12c(n(nc2)c2ccc(cc2)OC)CC(CC1NC(=O)c1nn2c(c1)nccc2)(C)C
• Canonical SMILES: COc1ccc(cc1)n1ncc2c1CC(C)(C)CC2NC(=O)c1nn2c(c1)nccc2
• InChI: InChI=1S/C23H24N6O2/c1-23(2)12-19(26-22(30)18-11-21-24-9-4-10-28(21)27-18)17-14-25-29(20(17)13-23)15-5-7-16(31-3)8-6-15/h4-11,14,19H,12-13H2,1-3H3,(H,26,30)
• InChIKey: KPOFYLWPKVBKDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.898439
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.1056361
• LogD (pH = 7.4): 3.1057115
• Log P: 3.1057124
• Molar Refractivity: 128.0512 cm^3
• Polarizability: 44.654694 Å^3
• Polar Surface Area: 86.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 4.22
• LOG S: -6.44
• Polar Surface Area: 86.34 Å^2
• Rotatable Bonds: 3