[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone

C26H24F4N6O — CID 146480799

About [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone

[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone (PubChem CID 146480799) has the molecular formula C26H24F4N6O and a molecular weight of 512.51 g/mol. Its IUPAC name is [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

• Compound Name: [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
• PubChem CID: 146480799
• Molecular Formula: C26H24F4N6O
• Molecular Weight: 512.51 g/mol
• Exact Mass: 512.19
• IUPAC Name: [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
• SMILES: CCC1Cc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C(CC)N1C(=O)c1cc(F)ccc1-n1nccn1
• InChI: InChI=1S/C26H24F4N6O/c1-4-16-13-18-24(33-34(3)25(18)14-10-19(28)23(30)20(29)11-14)21(5-2)35(16)26(37)17-12-15(27)6-7-22(17)36-31-8-9-32-36/h6-12,16,21H,4-5,13H2,1-3H3
• InChIKey: UUDABQSNRPGJRF-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 68.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.51
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone?

The IUPAC name of [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone (CID 146480799) is [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone.

What is the SMILES notation for [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone?

The canonical SMILES for [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone is CCC1Cc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C(CC)N1C(=O)c1cc(F)ccc1-n1nccn1.

What is the InChIKey of [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone?

The InChIKey is UUDABQSNRPGJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N6O/c1-4-16-13-18-24(33-34(3)25(18)14-10-19(28)23(30)20(29)11-14)21(5-2)35(16)26(37)17-12-15(27)6-7-22(17)36-31-8-9-32-36/h6-12,16,21H,4-5,13H2,1-3H3.

What are the key properties of [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone?

[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 512.51 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 146480799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).