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

• ChemBase ID: 793686
• Molecular Formular: C18H22N6
• Molecular Mass: 322.40748
• Monoisotopic Mass: 322.19059473
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCCCn1c(C2CC2)ccn1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCCCn1nccc1C1CC1
• InChI: InChI=1S/C18H22N6/c1-12-10-13(2)23-18-16(12)17(20-11-21-18)19-7-3-9-24-15(6-8-22-24)14-4-5-14/h6,8,10-11,14H,3-5,7,9H2,1-2H3,(H,19,20,21,23)
• InChIKey: ZHYKJZJAEISWFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.060184
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.145921
• LogD (pH = 7.4): 2.1571481
• Log P: 2.157293
• Molar Refractivity: 108.5573 cm^3
• Polarizability: 35.71088 Å^3
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.41
• LOG S: -3.61
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 6