2-cyclopentyl-5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 626411
• Molecular Formular: C20H22N4O2
• Molecular Mass: 350.41428
• Monoisotopic Mass: 350.17427596
• SMILES: c1(nc(on1)c1occc1)c1c2c(CN(CC2)C2CCCC2)cnc1C
• Canonical SMILES: Cc1ncc2c(c1c1noc(n1)c1ccco1)CCN(C2)C1CCCC1
• InChI: InChI=1S/C20H22N4O2/c1-13-18(19-22-20(26-23-19)17-7-4-10-25-17)16-8-9-24(12-14(16)11-21-13)15-5-2-3-6-15/h4,7,10-11,15H,2-3,5-6,8-9,12H2,1H3
• InChIKey: DMDQQZSUMCRXMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 2-cyclopentyl-5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine
• Synonyms: 2-cyclopentyl-5-[5-(2-furyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.752305
• LogD (pH = 7.4): 2.553982
• Log P: 3.463006
• Molar Refractivity: 120.2778 cm^3
• Polarizability: 38.467823 Å^3
• Polar Surface Area: 68.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.37
• LOG S: -3.63
• Polar Surface Area: 68.19 Å^2
• Rotatable Bonds: 3