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

• ChemBase ID: 524101
• Molecular Formular: C24H34N4O2
• Molecular Mass: 410.55236
• Monoisotopic Mass: 410.26817635
• SMILES: c1(c2c(n(n1)CC)CCC(C2)NCCc1ccc(cc1)OC)C(=O)N1CCCCC1
• Canonical SMILES: COc1ccc(cc1)CCNC1CCc2c(C1)c(nn2CC)C(=O)N1CCCCC1
• InChI: InChI=1S/C24H34N4O2/c1-3-28-22-12-9-19(25-14-13-18-7-10-20(30-2)11-8-18)17-21(22)23(26-28)24(29)27-15-5-4-6-16-27/h7-8,10-11,19,25H,3-6,9,12-17H2,1-2H3
• InChIKey: GQOLSSFYPWQIOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
• IUPAC Traditional name: 1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-amine
• Synonyms: 1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-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): 0.093679726
• LogD (pH = 7.4): 0.91867006
• Log P: 3.3029137
• Molar Refractivity: 131.7979 cm^3
• Polarizability: 45.782852 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.23
• LOG S: -5.41
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5