3-{imidazo[1,2-a]pyridin-2-ylmethyl}-3H,4H-pyrido[3,4-d]pyrimidin-4-one

• ChemBase ID: 521669
• Molecular Formular: C15H11N5O
• Molecular Mass: 277.28074
• Monoisotopic Mass: 277.09636
• SMILES: n1(c(=O)c2c(nc1)cncc2)Cc1nc2n(c1)cccc2
• Canonical SMILES: O=c1n(cnc2c1ccnc2)Cc1nc2n(c1)cccc2
• InChI: InChI=1S/C15H11N5O/c21-15-12-4-5-16-7-13(12)17-10-20(15)9-11-8-19-6-2-1-3-14(19)18-11/h1-8,10H,9H2
• InChIKey: AQICNIBUZSLBOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-ylmethyl}-3H,4H-pyrido[3,4-d]pyrimidin-4-one
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-ylmethyl}pyrido[3,4-d]pyrimidin-4-one
• Synonyms: 3-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4(3H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8672
• LogD (pH = 7.4): 0.20347656
• Log P: 0.32299405
• Molar Refractivity: 79.608 cm^3
• Polarizability: 28.487312 Å^3
• Polar Surface Area: 62.86 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.27
• LOG S: -2.76
• Polar Surface Area: 65.08 Å^2
• Rotatable Bonds: 2