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

• ChemBase ID: 362533
• Molecular Formular: C20H33N5O
• Molecular Mass: 359.50892
• Monoisotopic Mass: 359.2685107
• SMILES: n1(nc(cc1C)C)CC1(CC1)CNC(=O)C1N(CC2(C1)CCNCC2)C
• Canonical SMILES: CN1CC2(CC1C(=O)NCC1(CC1)Cn1nc(cc1C)C)CCNCC2
• InChI: InChI=1S/C20H33N5O/c1-15-10-16(2)25(23-15)14-20(4-5-20)12-22-18(26)17-11-19(13-24(17)3)6-8-21-9-7-19/h10,17,21H,4-9,11-14H2,1-3H3,(H,22,26)
• InChIKey: ANYFYDGJJKTABE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-({1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl}methyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 62.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.593551
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.4057083
• LogD (pH = 7.4): -3.153278
• Log P: 0.43409082
• Molar Refractivity: 114.7339 cm^3
• Polarizability: 40.35845 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 62.19 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 2
• Log P: 0.56
• LOG S: -2.3