4-amino-2-(morpholin-4-yl)-5-(4-oxo-4H-chromen-3-yl)-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one

• ChemBase ID: 712355
• Molecular Formular: C20H19N5O4
• Molecular Mass: 393.39596
• Monoisotopic Mass: 393.14370411
• SMILES: c1(C2c3c(nc(nc3N)N3CCOCC3)NC(=O)C2)c(=O)c2c(oc1)cccc2
• Canonical SMILES: O=C1Nc2nc(nc(c2C(C1)c1coc2c(c1=O)cccc2)N)N1CCOCC1
• InChI: InChI=1S/C20H19N5O4/c21-18-16-12(13-10-29-14-4-2-1-3-11(14)17(13)27)9-15(26)22-19(16)24-20(23-18)25-5-7-28-8-6-25/h1-4,10,12H,5-9H2,(H3,21,22,23,24,26)
• InChIKey: GZNDSENXBZAYOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-2-(morpholin-4-yl)-5-(4-oxo-4H-chromen-3-yl)-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one
• IUPAC Traditional name: 4-amino-2-(morpholin-4-yl)-5-(4-oxochromen-3-yl)-5H,6H,8H-pyrido[2,3-d]pyrimidin-7-one
• Synonyms: 4-amino-2-morpholin-4-yl-5-(4-oxo-4H-chromen-3-yl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.732678
• H Acceptors: 8
• H Donor: 2
• LogD (pH = 5.5): 0.8538973
• LogD (pH = 7.4): 1.5003088
• Log P: 1.5206139
• Molar Refractivity: 108.8163 cm^3
• Polarizability: 39.085377 Å^3
• Polar Surface Area: 119.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.31
• LOG S: -3.18
• Polar Surface Area: 123.58 Å^2
• Rotatable Bonds: 2