N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-hydroxy-N-methyl-2-(pyridin-2-yl)pyrimidine-5-carboxamide

• ChemBase ID: 511357
• Molecular Formular: C19H22N6O2
• Molecular Mass: 366.41698
• Monoisotopic Mass: 366.18042397
• SMILES: c1(c(nc(nc1)c1ncccc1)O)C(=O)N(CCCn1nc(cc1C)C)C
• Canonical SMILES: Cc1nn(c(c1)C)CCCN(C(=O)c1cnc(nc1O)c1ccccn1)C
• InChI: InChI=1S/C19H22N6O2/c1-13-11-14(2)25(23-13)10-6-9-24(3)19(27)15-12-21-17(22-18(15)26)16-7-4-5-8-20-16/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,21,22,26)
• InChIKey: QZKRGNNPQSQTNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-hydroxy-N-methyl-2-(pyridin-2-yl)pyrimidine-5-carboxamide
• IUPAC Traditional name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-hydroxy-N-methyl-2-(pyridin-2-yl)pyrimidine-5-carboxamide
• Synonyms: N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-4-hydroxy-N-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.616162
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.3618467
• LogD (pH = 7.4): 2.3646457
• Log P: 2.3649418
• Molar Refractivity: 124.3697 cm^3
• Polarizability: 38.677235 Å^3
• Polar Surface Area: 97.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.85
• LOG S: -2.6
• Polar Surface Area: 97.03 Å^2
• Rotatable Bonds: 6