4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide

• ChemBase ID: 750264
• Molecular Formular: C25H32N4O3
• Molecular Mass: 436.54658
• Monoisotopic Mass: 436.2474409
• SMILES: c1(n[nH]c2c1CCCC2)CN(C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)C
• Canonical SMILES: O=C(N(Cc1n[nH]c2c1CCCC2)C)c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C25H32N4O3/c1-28(16-23-21-4-2-3-5-22(21)26-27-23)24(30)17-8-10-19(11-9-17)32-20-12-14-29(15-13-20)25(31)18-6-7-18/h8-11,18,20H,2-7,12-16H2,1H3,(H,26,27)
• InChIKey: PCQFDTJDWGKJAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.421097
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4734282
• LogD (pH = 7.4): 2.473539
• Log P: 2.4735405
• Molar Refractivity: 123.806 cm^3
• Polarizability: 46.73604 Å^3
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.24
• LOG S: -5.47
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 6