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

• ChemBase ID: 731502
• Molecular Formular: C19H21N7O
• Molecular Mass: 363.41634
• Monoisotopic Mass: 363.18075833
• SMILES: n1c(c2c(nc1c1ccncc1)CN(C(=O)c1nc(c[nH]1)C)CC2)N(C)C
• Canonical SMILES: Cc1c[nH]c(n1)C(=O)N1CCc2c(C1)nc(nc2N(C)C)c1ccncc1
• InChI: InChI=1S/C19H21N7O/c1-12-10-21-17(22-12)19(27)26-9-6-14-15(11-26)23-16(24-18(14)25(2)3)13-4-7-20-8-5-13/h4-5,7-8,10H,6,9,11H2,1-3H3,(H,21,22)
• InChIKey: FHFGWTZYSRNSBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.232413
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.5683873
• LogD (pH = 7.4): 1.5975057
• Log P: 1.5979496
• Molar Refractivity: 114.0139 cm^3
• Polarizability: 38.55212 Å^3
• Polar Surface Area: 90.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.38
• LOG S: -2.17
• Polar Surface Area: 90.9 Å^2
• Rotatable Bonds: 3