6-[3-(3-methoxyphenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide

• ChemBase ID: 314158
• Molecular Formular: C18H17N5O3
• Molecular Mass: 351.35928
• Monoisotopic Mass: 351.13313943
• SMILES: c12c(noc2CCN(C1)c1nc(C(=O)N)cnc1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1noc2c1CN(CC2)c1cncc(n1)C(=O)N
• InChI: InChI=1S/C18H17N5O3/c1-25-12-4-2-3-11(7-12)17-13-10-23(6-5-15(13)26-22-17)16-9-20-8-14(21-16)18(19)24/h2-4,7-9H,5-6,10H2,1H3,(H2,19,24)
• InChIKey: CGMUVXRBLFCYBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[3-(3-methoxyphenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide
• IUPAC Traditional name: 6-[3-(3-methoxyphenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrazine-2-carboxamide
• Synonyms: 6-[3-(3-methoxyphenyl)-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.192762
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.172501
• LogD (pH = 7.4): 1.1725047
• Log P: 1.1725041
• Molar Refractivity: 95.7722 cm^3
• Polarizability: 36.294735 Å^3
• Polar Surface Area: 107.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.48
• LOG S: -3.03
• Polar Surface Area: 107.37 Å^2
• Rotatable Bonds: 4