4-{7-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl}morpholine

• ChemBase ID: 706475
• Molecular Formular: C19H25N5O3
• Molecular Mass: 371.4335
• Monoisotopic Mass: 371.19573969
• SMILES: c1(C(=O)N2Cc3c(c(N4CCOCC4)ncn3)CC2)cc(no1)CC(C)C
• Canonical SMILES: CC(Cc1noc(c1)C(=O)N1CCc2c(C1)ncnc2N1CCOCC1)C
• InChI: InChI=1S/C19H25N5O3/c1-13(2)9-14-10-17(27-22-14)19(25)24-4-3-15-16(11-24)20-12-21-18(15)23-5-7-26-8-6-23/h10,12-13H,3-9,11H2,1-2H3
• InChIKey: UXEHPVOIRZAXDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{7-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl}morpholine
• IUPAC Traditional name: 4-{7-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-yl}morpholine
• Synonyms: 7-[(3-isobutylisoxazol-5-yl)carbonyl]-4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.5087825
• LogD (pH = 7.4): 1.5253867
• Log P: 1.5256026
• Molar Refractivity: 102.4982 cm^3
• Polarizability: 37.569138 Å^3
• Polar Surface Area: 84.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.75
• LOG S: -2.58
• Polar Surface Area: 84.59 Å^2
• Rotatable Bonds: 4