N-[2-hydroxy-5-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide

• ChemBase ID: 520026
• Molecular Formular: C16H18N8O2
• Molecular Mass: 354.36652
• Monoisotopic Mass: 354.15527186
• SMILES: n12nc(cc1CNCC2)CCC(=O)Nc1cc(c2nnn[nH]2)ccc1O
• Canonical SMILES: O=C(Nc1cc(ccc1O)c1nnn[nH]1)CCc1nn2c(c1)CNCC2
• InChI: InChI=1S/C16H18N8O2/c25-14-3-1-10(16-19-22-23-20-16)7-13(14)18-15(26)4-2-11-8-12-9-17-5-6-24(12)21-11/h1,3,7-8,17,25H,2,4-6,9H2,(H,18,26)(H,19,20,22,23)
• InChIKey: CDAHSLCNVMOEAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-hydroxy-5-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• IUPAC Traditional name: N-[2-hydroxy-5-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• Synonyms: N-[2-hydroxy-5-(1H-tetrazol-5-yl)phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.315666
• H Acceptors: 7
• H Donor: 4
• LogD (pH = 5.5): -1.6926379
• LogD (pH = 7.4): -1.6553351
• Log P: -1.673437
• Molar Refractivity: 119.2231 cm^3
• Polarizability: 35.677593 Å^3
• Polar Surface Area: 133.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 4
• Log P: 0.15
• LOG S: -3.22
• Polar Surface Area: 133.64 Å^2
• Rotatable Bonds: 5