7-cyclopentyl-2-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 324966
• Molecular Formular: C19H30N4O
• Molecular Mass: 330.4677
• Monoisotopic Mass: 330.2419616
• SMILES: C1(=O)C2(CN(CC2)CCc2cn(nc2)C)CCCN1C1CCCC1
• Canonical SMILES: Cn1ncc(c1)CCN1CCC2(C1)CCCN(C2=O)C1CCCC1
• InChI: InChI=1S/C19H30N4O/c1-21-14-16(13-20-21)7-11-22-12-9-19(15-22)8-4-10-23(18(19)24)17-5-2-3-6-17/h13-14,17H,2-12,15H2,1H3
• InChIKey: GKELBDYBOBSILZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopentyl-2-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclopentyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclopentyl-2-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4471954
• LogD (pH = 7.4): -0.16140033
• Log P: 1.9377748
• Molar Refractivity: 107.2852 cm^3
• Polarizability: 36.9904 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.78
• LOG S: -3.13
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 4