N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

• ChemBase ID: 437945
• Molecular Formular: C15H14N6O
• Molecular Mass: 294.31126
• Monoisotopic Mass: 294.1229091
• SMILES: n12c(ncc1CCNc1c3c(onc3C)ncn1)cccc2
• Canonical SMILES: Cc1noc2c1c(NCCc1cnc3n1cccc3)ncn2
• InChI: InChI=1S/C15H14N6O/c1-10-13-14(18-9-19-15(13)22-20-10)16-6-5-11-8-17-12-4-2-3-7-21(11)12/h2-4,7-9H,5-6H2,1H3,(H,16,18,19)
• InChIKey: MDFKYHKNROMFOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• Synonyms: N-(2-imidazo[1,2-a]pyridin-3-ylethyl)-3-methylisoxazolo[5,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.419012
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.43569785
• LogD (pH = 7.4): 0.38375422
• Log P: 0.48996422
• Molar Refractivity: 84.7773 cm^3
• Polarizability: 30.456007 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.63
• LOG S: -4.86
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 4