N,5,7-trimethyl-N-[(5-propyl-1H-pyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 751521
• Molecular Formular: C17H22N6
• Molecular Mass: 310.39678
• Monoisotopic Mass: 310.19059473
• SMILES: c12c(nc(cc2C)C)ncnc1N(Cc1n[nH]c(c1)CCC)C
• Canonical SMILES: CCCc1[nH]nc(c1)CN(c1ncnc2c1c(C)cc(n2)C)C
• InChI: InChI=1S/C17H22N6/c1-5-6-13-8-14(22-21-13)9-23(4)17-15-11(2)7-12(3)20-16(15)18-10-19-17/h7-8,10H,5-6,9H2,1-4H3,(H,21,22)
• InChIKey: HAMHAGCDRCGSEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5,7-trimethyl-N-[(5-propyl-1H-pyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N,5,7-trimethyl-N-[(5-propyl-1H-pyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N,5,7-trimethyl-N-[(5-propyl-1H-pyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.400528
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.1482918
• LogD (pH = 7.4): 3.1563652
• Log P: 3.156469
• Molar Refractivity: 94.6437 cm^3
• Polarizability: 34.676617 Å^3
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.87
• LOG S: -3.92
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 5