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

• ChemBase ID: 568351
• Molecular Formular: C24H34N4O3
• Molecular Mass: 426.55176
• Monoisotopic Mass: 426.26309097
• SMILES: c1(c2c(n(n1)CC(C)C)CCC(C2)NCc1cc(OC)ccc1)C(=O)N1CCOCC1
• Canonical SMILES: COc1cccc(c1)CNC1CCc2c(C1)c(nn2CC(C)C)C(=O)N1CCOCC1
• InChI: InChI=1S/C24H34N4O3/c1-17(2)16-28-22-8-7-19(25-15-18-5-4-6-20(13-18)30-3)14-21(22)23(26-28)24(29)27-9-11-31-12-10-27/h4-6,13,17,19,25H,7-12,14-16H2,1-3H3
• InChIKey: PXLIOEQALSKISR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
• IUPAC Traditional name: N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-amine
• Synonyms: 1-isobutyl-N-(3-methoxybenzyl)-3-(4-morpholinylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.3023109
• LogD (pH = 7.4): 0.9502806
• Log P: 2.8328812
• Molar Refractivity: 132.971 cm^3
• Polarizability: 46.55509 Å^3
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.21
• LOG S: -4.25
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 5