1-[3-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)propyl]-1H-indazole

• ChemBase ID: 511132
• Molecular Formular: C19H21N7
• Molecular Mass: 347.41694
• Monoisotopic Mass: 347.18584371
• SMILES: c1(nn2c(c1)CNCC2)c1n(ccn1)CCCn1ncc2c1cccc2
• Canonical SMILES: N1CCn2c(C1)cc(n2)c1nccn1CCCn1ncc2c1cccc2
• InChI: InChI=1S/C19H21N7/c1-2-5-18-15(4-1)13-22-26(18)9-3-8-24-10-7-21-19(24)17-12-16-14-20-6-11-25(16)23-17/h1-2,4-5,7,10,12-13,20H,3,6,8-9,11,14H2
• InChIKey: NSVGSBHYPXYAAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)propyl]-1H-indazole
• IUPAC Traditional name: 1-[3-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}imidazol-1-yl)propyl]indazole
• Synonyms: 2-{1-[3-(1H-indazol-1-yl)propyl]-1H-imidazol-2-yl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.8498018
• LogD (pH = 7.4): 0.96387416
• Log P: 1.532176
• Molar Refractivity: 132.8845 cm^3
• Polarizability: 39.75203 Å^3
• Polar Surface Area: 65.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.53
• LOG S: -1.18
• Polar Surface Area: 65.49 Å^2
• Rotatable Bonds: 5