N,2-dimethyl-N-{[2-(1H-pyrazol-1-yl)phenyl]methyl}pyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 353326
• Molecular Formular: C19H18N6
• Molecular Mass: 330.38642
• Monoisotopic Mass: 330.15929461
• SMILES: c1(c2c(nc(n1)C)nccc2)N(Cc1c(n2nccc2)cccc1)C
• Canonical SMILES: Cc1nc(N(Cc2ccccc2n2cccn2)C)c2c(n1)nccc2
• InChI: InChI=1S/C19H18N6/c1-14-22-18-16(8-5-10-20-18)19(23-14)24(2)13-15-7-3-4-9-17(15)25-12-6-11-21-25/h3-12H,13H2,1-2H3
• InChIKey: ICLWPFNAYUWLSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-N-{[2-(1H-pyrazol-1-yl)phenyl]methyl}pyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N,2-dimethyl-N-{[2-(pyrazol-1-yl)phenyl]methyl}pyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N,2-dimethyl-N-[2-(1H-pyrazol-1-yl)benzyl]pyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.6452696
• LogD (pH = 7.4): 3.645373
• Log P: 3.6453743
• Molar Refractivity: 100.5572 cm^3
• Polarizability: 37.757496 Å^3
• Polar Surface Area: 59.73 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: 1.78
• LOG S: -4.22
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 4