(4R,5R)-1-(4-fluorophenyl)-N,4-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide

C27H25F4N3O — CID 66861362

About (4R,5R)-1-(4-fluorophenyl)-N,4-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide

(4R,5R)-1-(4-fluorophenyl)-N,4-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide (PubChem CID 66861362) has the molecular formula C27H25F4N3O and a molecular weight of 483.51 g/mol. Its IUPAC name is (4R,5R)-1-(4-fluorophenyl)-N,4-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide.

Molecular Properties

• Compound Name: (4R,5R)-1-(4-fluorophenyl)-N,4-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
• PubChem CID: 66861362
• Molecular Formula: C27H25F4N3O
• Molecular Weight: 483.51 g/mol
• Exact Mass: 483.19
• IUPAC Name: (4R,5R)-1-(4-fluorophenyl)-N,4-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
• SMILES: C[C@@H]1C2=C(CC[C@H]2C(=O)N(C)Cc2cccc(C(F)(F)F)c2)Cc2c1cnn2-c1ccc(F)cc1
• InChI: InChI=1S/C27H25F4N3O/c1-16-23-14-32-34(21-9-7-20(28)8-10-21)24(23)13-18-6-11-22(25(16)18)26(35)33(2)15-17-4-3-5-19(12-17)27(29,30)31/h3-5,7-10,12,14,16,22H,6,11,13,15H2,1-2H3/t16-,22+/m0/s1
• InChIKey: IJROFZQYQURXGK-KSFYIVLOSA-N
• XLogP: 6.05
• TPSA: 38.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.51
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-(4-fluorophenyl)-N,4-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?

The IUPAC name of (4R,5R)-1-(4-fluorophenyl)-N,4-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide (CID 66861362) is (4R,5R)-1-(4-fluorophenyl)-N,4-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide.

What is the SMILES notation for (4R,5R)-1-(4-fluorophenyl)-N,4-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?

The canonical SMILES for (4R,5R)-1-(4-fluorophenyl)-N,4-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide is C[C@@H]1C2=C(CC[C@H]2C(=O)N(C)Cc2cccc(C(F)(F)F)c2)Cc2c1cnn2-c1ccc(F)cc1.

What is the InChIKey of (4R,5R)-1-(4-fluorophenyl)-N,4-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?

The InChIKey is IJROFZQYQURXGK-KSFYIVLOSA-N. The full InChI is InChI=1S/C27H25F4N3O/c1-16-23-14-32-34(21-9-7-20(28)8-10-21)24(23)13-18-6-11-22(25(16)18)26(35)33(2)15-17-4-3-5-19(12-17)27(29,30)31/h3-5,7-10,12,14,16,22H,6,11,13,15H2,1-2H3/t16-,22+/m0/s1.

What are the key properties of (4R,5R)-1-(4-fluorophenyl)-N,4-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?

(4R,5R)-1-(4-fluorophenyl)-N,4-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide has a molecular weight of 483.51 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-1-(4-fluorophenyl)-N,4-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide is sourced from PubChem (CID 66861362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).