5-[5-(cyclopropylmethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 764841
• Molecular Formular: C20H22N6O2
• Molecular Mass: 378.42768
• Monoisotopic Mass: 378.18042397
• SMILES: c1(nc(on1)CC1CC1)c1c2c(CN(C(=O)c3n(ncc3)C)CC2)cnc1C
• Canonical SMILES: Cc1ncc2c(c1c1noc(n1)CC1CC1)CCN(C2)C(=O)c1ccnn1C
• InChI: InChI=1S/C20H22N6O2/c1-12-18(19-23-17(28-24-19)9-13-3-4-13)15-6-8-26(11-14(15)10-21-12)20(27)16-5-7-22-25(16)2/h5,7,10,13H,3-4,6,8-9,11H2,1-2H3
• InChIKey: JXQQOKQFWOWPIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[5-(cyclopropylmethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 5-[5-(cyclopropylmethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-(2-methylpyrazole-3-carbonyl)-3,4-dihydro-1H-2,7-naphthyridine
• Synonyms: 5-[5-(cyclopropylmethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.432071
• LogD (pH = 7.4): 1.45527
• Log P: 1.4555745
• Molar Refractivity: 126.5097 cm^3
• Polarizability: 38.971355 Å^3
• Polar Surface Area: 89.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.2
• LOG S: -2.98
• Polar Surface Area: 89.94 Å^2
• Rotatable Bonds: 4