(1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

C24H20F3N5O — CID 146516336

About (1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

(1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (PubChem CID 146516336) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is (1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: (1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
• PubChem CID: 146516336
• Molecular Formula: C24H20F3N5O
• Molecular Weight: 451.45 g/mol
• Exact Mass: 451.16
• IUPAC Name: (1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
• SMILES: Cn1cc(-c2ccccc2)nc1C(=O)N1CCc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C1
• InChI: InChI=1S/C24H20F3N5O/c1-30-12-19(14-6-4-3-5-7-14)28-23(30)24(33)32-9-8-16-20(13-32)29-31(2)22(16)15-10-17(25)21(27)18(26)11-15/h3-7,10-12H,8-9,13H2,1-2H3
• InChIKey: GNSFJXRYSNYRGX-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 55.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.45
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

The IUPAC name of (1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (CID 146516336) is (1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.

What is the SMILES notation for (1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

The canonical SMILES for (1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is Cn1cc(-c2ccccc2)nc1C(=O)N1CCc2c(nn(C)c2-c2cc(F)c(F)c(F)c2)C1.

What is the InChIKey of (1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

The InChIKey is GNSFJXRYSNYRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O/c1-30-12-19(14-6-4-3-5-7-14)28-23(30)24(33)32-9-8-16-20(13-32)29-31(2)22(16)15-10-17(25)21(27)18(26)11-15/h3-7,10-12H,8-9,13H2,1-2H3.

What are the key properties of (1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?

(1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone has a molecular weight of 451.45 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methyl-4-phenylimidazol-2-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 146516336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).