N-({7-[4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)furan-2-carboxamide

• ChemBase ID: 772809
• Molecular Formular: C27H27N5O3
• Molecular Mass: 469.53498
• Monoisotopic Mass: 469.21138975
• SMILES: n1(nc(cc1C)C)c1ccc(C(=O)N2Cc3c(c(CNC(=O)c4occc4)c(nc3)C)CC2)cc1
• Canonical SMILES: Cc1nn(c(c1)C)c1ccc(cc1)C(=O)N1CCc2c(C1)cnc(c2CNC(=O)c1ccco1)C
• InChI: InChI=1S/C27H27N5O3/c1-17-13-18(2)32(30-17)22-8-6-20(7-9-22)27(34)31-11-10-23-21(16-31)14-28-19(3)24(23)15-29-26(33)25-5-4-12-35-25/h4-9,12-14H,10-11,15-16H2,1-3H3,(H,29,33)
• InChIKey: JLFNWAVNCSUHAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({7-[4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)furan-2-carboxamide
• IUPAC Traditional name: N-({7-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl}methyl)furan-2-carboxamide
• Synonyms: N-({7-[4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.93731
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.052976
• LogD (pH = 7.4): 2.2223942
• Log P: 2.2250838
• Molar Refractivity: 134.3681 cm^3
• Polarizability: 50.152454 Å^3
• Polar Surface Area: 93.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.96
• LOG S: -7.12
• Polar Surface Area: 93.26 Å^2
• Rotatable Bonds: 5