N-[(1,5-dimethyl-1H-indazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 862581
• Molecular Formular: C20H29N5O
• Molecular Mass: 355.47716
• Monoisotopic Mass: 355.23721057
• SMILES: n1n(c2c(c1CNC(=O)C1N(CC3(C1)CCNCC3)C)cc(cc2)C)C
• Canonical SMILES: CN1CC2(CC1C(=O)NCc1nn(c3c1cc(C)cc3)C)CCNCC2
• InChI: InChI=1S/C20H29N5O/c1-14-4-5-17-15(10-14)16(23-25(17)3)12-22-19(26)18-11-20(13-24(18)2)6-8-21-9-7-20/h4-5,10,18,21H,6-9,11-13H2,1-3H3,(H,22,26)
• InChIKey: ZBHTYPUSHAXLGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1,5-dimethyl-1H-indazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[(1,5-dimethylindazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-[(1,5-dimethyl-1H-indazol-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.916662
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.7923226
• LogD (pH = 7.4): -2.5425165
• Log P: 1.0717738
• Molar Refractivity: 114.5405 cm^3
• Polarizability: 41.235294 Å^3
• Polar Surface Area: 62.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.04
• LOG S: -2.68
• Polar Surface Area: 62.19 Å^2
• Rotatable Bonds: 3