1'-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}-2,3-dihydrospiro[indene-1,4'-piperidine]

• ChemBase ID: 572501
• Molecular Formular: C20H26N4
• Molecular Mass: 322.44724
• Monoisotopic Mass: 322.21574685
• SMILES: n1n2c(cc1CN1CCC3(c4c(CC3)cccc4)CC1)CNCC2
• Canonical SMILES: c1ccc2c(c1)C1(CCN(CC1)Cc1nn3c(c1)CNCC3)CC2
• InChI: InChI=1S/C20H26N4/c1-2-4-19-16(3-1)5-6-20(19)7-10-23(11-8-20)15-17-13-18-14-21-9-12-24(18)22-17/h1-4,13,21H,5-12,14-15H2
• InChIKey: DBLUKRXLSRHCEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}-2,3-dihydrospiro[indene-1,4'-piperidine]
• IUPAC Traditional name: 1'-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}-2,3-dihydrospiro[indene-1,4'-piperidine]
• Synonyms: 1'-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-2,3-dihydrospiro[indene-1,4'-piperidine]

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.117463
• LogD (pH = 7.4): 1.2890921
• Log P: 2.3517313
• Molar Refractivity: 108.6381 cm^3
• Polarizability: 37.62919 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.61
• LOG S: -1.92
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 2