3-methyl-8-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 651163
• Molecular Formular: C15H23N5O2
• Molecular Mass: 305.37542
• Monoisotopic Mass: 305.185175
• SMILES: C1(=O)N(CC2(O1)CCN(Cc1nn3c(c1)CNCC3)CC2)C
• Canonical SMILES: O=C1OC2(CN1C)CCN(CC2)Cc1nn2c(c1)CNCC2
• InChI: InChI=1S/C15H23N5O2/c1-18-11-15(22-14(18)21)2-5-19(6-3-15)10-12-8-13-9-16-4-7-20(13)17-12/h8,16H,2-7,9-11H2,1H3
• InChIKey: FJKMDLFKNHUFDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-8-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-methyl-8-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-methyl-8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.9324524
• LogD (pH = 7.4): -1.1701564
• Log P: -0.64396507
• Molar Refractivity: 93.4049 cm^3
• Polarizability: 31.943817 Å^3
• Polar Surface Area: 62.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.91
• LOG S: -0.95
• Polar Surface Area: 62.63 Å^2
• Rotatable Bonds: 2