6-[1-(propan-2-yl)-1H-pyrazole-4-carbonyl]-5,6,7,8-tetrahydro-1,6-naphthyridine

• ChemBase ID: 736225
• Molecular Formular: C15H18N4O
• Molecular Mass: 270.32962
• Monoisotopic Mass: 270.14806122
• SMILES: c1(C(=O)N2Cc3c(CC2)nccc3)cn(nc1)C(C)C
• Canonical SMILES: O=C(c1cnn(c1)C(C)C)N1CCc2c(C1)cccn2
• InChI: InChI=1S/C15H18N4O/c1-11(2)19-10-13(8-17-19)15(20)18-7-5-14-12(9-18)4-3-6-16-14/h3-4,6,8,10-11H,5,7,9H2,1-2H3
• InChIKey: HITIGFBEBWFOPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[1-(propan-2-yl)-1H-pyrazole-4-carbonyl]-5,6,7,8-tetrahydro-1,6-naphthyridine
• IUPAC Traditional name: 6-(1-isopropylpyrazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine
• Synonyms: 6-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-5,6,7,8-tetrahydro-1,6-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0261551
• LogD (pH = 7.4): 1.0486982
• Log P: 1.048994
• Molar Refractivity: 88.1881 cm^3
• Polarizability: 28.908676 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.08
• LOG S: -1.25
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 2