1-methyl-N-(3-methylbutyl)-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

• ChemBase ID: 496202
• Molecular Formular: C19H32N4O
• Molecular Mass: 332.48358
• Monoisotopic Mass: 332.25761166
• SMILES: c1(c2c(n(n1)C)CCC(C2)NCCC(C)C)C(=O)N1CCCCC1
• Canonical SMILES: CC(CCNC1CCc2c(C1)c(nn2C)C(=O)N1CCCCC1)C
• InChI: InChI=1S/C19H32N4O/c1-14(2)9-10-20-15-7-8-17-16(13-15)18(21-22(17)3)19(24)23-11-5-4-6-12-23/h14-15,20H,4-13H2,1-3H3
• InChIKey: IPDUXYRDEZDAPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-(3-methylbutyl)-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
• IUPAC Traditional name: 1-methyl-N-(3-methylbutyl)-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-amine
• Synonyms: 1-methyl-N-(3-methylbutyl)-3-(1-piperidinylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.513448
• LogD (pH = 7.4): 0.24366502
• Log P: 2.7015607
• Molar Refractivity: 109.6407 cm^3
• Polarizability: 37.431595 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.82
• LOG S: -4.5
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4