8-[2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetyl]-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 314819
• Molecular Formular: C19H29N5O2
• Molecular Mass: 359.46586
• Monoisotopic Mass: 359.23212519
• SMILES: n1(c(cc(n1)C)N)CC(=O)N1CC2(CN(C(=O)CC2)CC2CC2)CCC1
• Canonical SMILES: O=C(N1CCCC2(C1)CCC(=O)N(C2)CC1CC1)Cn1nc(cc1N)C
• InChI: InChI=1S/C19H29N5O2/c1-14-9-16(20)24(21-14)11-18(26)22-8-2-6-19(12-22)7-5-17(25)23(13-19)10-15-3-4-15/h9,15H,2-8,10-13,20H2,1H3
• InChIKey: OKXRUEFFCVFKDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetyl]-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-[(5-amino-3-methyl-1H-pyrazol-1-yl)acetyl]-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.29058507
• LogD (pH = 7.4): -0.26803324
• Log P: -0.267738
• Molar Refractivity: 110.1569 cm^3
• Polarizability: 37.91549 Å^3
• Polar Surface Area: 84.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.89
• LOG S: -2.58
• Polar Surface Area: 84.46 Å^2
• Rotatable Bonds: 4