7-methyl-2-{5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 790793
• Molecular Formular: C21H23N5O
• Molecular Mass: 361.44022
• Monoisotopic Mass: 361.19026038
• SMILES: c1(n2c(nc(c1)c1ccccc1)ccn2)N1CC2(C(=O)N(CCC2)C)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)c1cc(nc2n1ncc2)c1ccccc1
• InChI: InChI=1S/C21H23N5O/c1-24-12-5-9-21(20(24)27)10-13-25(15-21)19-14-17(16-6-3-2-4-7-16)23-18-8-11-22-26(18)19/h2-4,6-8,11,14H,5,9-10,12-13,15H2,1H3
• InChIKey: ASEQPUZXMAWFHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-{5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-{5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-methyl-2-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8352537
• LogD (pH = 7.4): 2.8352916
• Log P: 2.835292
• Molar Refractivity: 114.8326 cm^3
• Polarizability: 40.802357 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.18
• LOG S: -3.7
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 2