6-methyl-5-{5-[1-(pyrrolidin-1-yl)propyl]-1,2,4-oxadiazol-3-yl}-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 683911
• Molecular Formular: C18H25N5O
• Molecular Mass: 327.424
• Monoisotopic Mass: 327.20591045
• SMILES: c1(nc(on1)C(N1CCCC1)CC)c1c2c(cnc1C)CNCC2
• Canonical SMILES: CCC(c1onc(n1)c1c(C)ncc2c1CCNC2)N1CCCC1
• InChI: InChI=1S/C18H25N5O/c1-3-15(23-8-4-5-9-23)18-21-17(22-24-18)16-12(2)20-11-13-10-19-7-6-14(13)16/h11,15,19H,3-10H2,1-2H3
• InChIKey: FVEUMSXYNBEFJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-5-{5-[1-(pyrrolidin-1-yl)propyl]-1,2,4-oxadiazol-3-yl}-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 3-methyl-4-{5-[1-(pyrrolidin-1-yl)propyl]-1,2,4-oxadiazol-3-yl}-5,6,7,8-tetrahydro-2,7-naphthyridine
• Synonyms: 6-methyl-5-{5-[1-(1-pyrrolidinyl)propyl]-1,2,4-oxadiazol-3-yl}-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.5614722
• LogD (pH = 7.4): -0.21349384
• Log P: 2.1629941
• Molar Refractivity: 105.506 cm^3
• Polarizability: 36.51117 Å^3
• Polar Surface Area: 67.08 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: 1.15
• LOG S: -1.56
• Polar Surface Area: 67.08 Å^2
• Rotatable Bonds: 4