N,6-dimethyl-N-[1-(3-methylpyridin-2-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 453861
• Molecular Formular: C18H21N5O
• Molecular Mass: 323.39224
• Monoisotopic Mass: 323.17461032
• SMILES: c1(c2n(nc1)cc(cn2)C)C(=O)N(C(Cc1ncccc1C)C)C
• Canonical SMILES: Cc1cnc2n(c1)ncc2C(=O)N(C(Cc1ncccc1C)C)C
• InChI: InChI=1S/C18H21N5O/c1-12-9-20-17-15(10-21-23(17)11-12)18(24)22(4)14(3)8-16-13(2)6-5-7-19-16/h5-7,9-11,14H,8H2,1-4H3
• InChIKey: YMRXSHFBNDPONZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,6-dimethyl-N-[1-(3-methylpyridin-2-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N,6-dimethyl-N-[1-(3-methylpyridin-2-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N,6-dimethyl-N-[1-methyl-2-(3-methylpyridin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.090445
• LogD (pH = 7.4): 2.2177536
• Log P: 2.2196681
• Molar Refractivity: 103.7795 cm^3
• Polarizability: 34.82037 Å^3
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.27
• LOG S: -1.34
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 4