N-[(2-methoxynaphthalen-1-yl)methyl]-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

• ChemBase ID: 608115
• Molecular Formular: C26H32N4O2
• Molecular Mass: 432.55788
• Monoisotopic Mass: 432.25252628
• SMILES: c1(c2c(n(n1)C)CCC(C2)NCc1c2c(ccc1OC)cccc2)C(=O)N1CCCCC1
• Canonical SMILES: COc1ccc2c(c1CNC1CCc3c(C1)c(nn3C)C(=O)N1CCCCC1)cccc2
• InChI: InChI=1S/C26H32N4O2/c1-29-23-12-11-19(16-21(23)25(28-29)26(31)30-14-6-3-7-15-30)27-17-22-20-9-5-4-8-18(20)10-13-24(22)32-2/h4-5,8-10,13,19,27H,3,6-7,11-12,14-17H2,1-2H3
• InChIKey: JEJXSOHTWDEFPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxynaphthalen-1-yl)methyl]-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
• IUPAC Traditional name: N-[(2-methoxynaphthalen-1-yl)methyl]-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-amine
• Synonyms: N-[(2-methoxy-1-naphthyl)methyl]-1-methyl-3-(1-piperidinylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.54909533
• LogD (pH = 7.4): 1.9064476
• Log P: 3.6469214
• Molar Refractivity: 138.7445 cm^3
• Polarizability: 49.689255 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.96
• LOG S: -5.88
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 4