7-(1-ethyl-1H-pyrazole-3-carbonyl)-N,N-dimethyl-2-(pyridin-2-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 354258
• Molecular Formular: C20H23N7O
• Molecular Mass: 377.44292
• Monoisotopic Mass: 377.19640839
• SMILES: n1c(c2c(nc1c1ncccc1)CN(C(=O)c1nn(cc1)CC)CC2)N(C)C
• Canonical SMILES: CCn1ccc(n1)C(=O)N1CCc2c(C1)nc(nc2N(C)C)c1ccccn1
• InChI: InChI=1S/C20H23N7O/c1-4-27-12-9-16(24-27)20(28)26-11-8-14-17(13-26)22-18(23-19(14)25(2)3)15-7-5-6-10-21-15/h5-7,9-10,12H,4,8,11,13H2,1-3H3
• InChIKey: ANUINTVMPQPTRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(1-ethyl-1H-pyrazole-3-carbonyl)-N,N-dimethyl-2-(pyridin-2-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: 7-(1-ethylpyrazole-3-carbonyl)-N,N-dimethyl-2-(pyridin-2-yl)-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: 7-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]-N,N-dimethyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.6241014
• LogD (pH = 7.4): 2.6254792
• Log P: 2.6254966
• Molar Refractivity: 129.8984 cm^3
• Polarizability: 40.38752 Å^3
• Polar Surface Area: 80.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.27
• LOG S: -3.03
• Polar Surface Area: 80.04 Å^2
• Rotatable Bonds: 4