N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,8-dimethyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 690291
• Molecular Formular: C21H37N5O
• Molecular Mass: 375.55138
• Monoisotopic Mass: 375.29981083
• SMILES: c1(c(n(nc1)CC)C)CN(C(=O)C1N(CC2(C1)CCN(CC2)C)CCC)C
• Canonical SMILES: CCCN1CC2(CC1C(=O)N(Cc1cnn(c1C)CC)C)CCN(CC2)C
• InChI: InChI=1S/C21H37N5O/c1-6-10-25-16-21(8-11-23(4)12-9-21)13-19(25)20(27)24(5)15-18-14-22-26(7-2)17(18)3/h14,19H,6-13,15-16H2,1-5H3
• InChIKey: XAGQFQANBLGNMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,8-dimethyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,8-dimethyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,8-dimethyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.0296583
• LogD (pH = 7.4): -2.4446685
• Log P: 1.5004262
• Molar Refractivity: 123.0561 cm^3
• Polarizability: 42.925663 Å^3
• Polar Surface Area: 44.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.55
• LOG S: -3.26
• Polar Surface Area: 44.61 Å^2
• Rotatable Bonds: 6