2-{1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carbonyl}-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 725859
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: c1(n[nH]c2c1CCC2)C(=O)N1CC2(C(=O)N(CC3CC3)CCC2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1n[nH]c2c1CCC2)CC1CC1
• InChI: InChI=1S/C19H26N4O2/c24-17(16-14-3-1-4-15(14)20-21-16)23-10-8-19(12-23)7-2-9-22(18(19)25)11-13-5-6-13/h13H,1-12H2,(H,20,21)
• InChIKey: OYYYFXINVLMNLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carbonyl}-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-{1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carbonyl}-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclopropylmethyl)-2-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.943402
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4655328
• LogD (pH = 7.4): 1.4655379
• Log P: 1.465538
• Molar Refractivity: 95.7128 cm^3
• Polarizability: 35.771988 Å^3
• Polar Surface Area: 69.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.87
• LOG S: -4.36
• Polar Surface Area: 69.3 Å^2
• Rotatable Bonds: 3