(4R,5R)-1-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide

C28H26F5N3O2 — CID 66861879

About (4R,5R)-1-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide

(4R,5R)-1-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide (PubChem CID 66861879) has the molecular formula C28H26F5N3O2 and a molecular weight of 531.53 g/mol. Its IUPAC name is (4R,5R)-1-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide.

Molecular Properties

• Compound Name: (4R,5R)-1-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
• PubChem CID: 66861879
• Molecular Formula: C28H26F5N3O2
• Molecular Weight: 531.53 g/mol
• Exact Mass: 531.19
• IUPAC Name: (4R,5R)-1-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide
• SMILES: C[C@@H]1C2=C(CC[C@H]2C(=O)N(Cc2ccccc2F)CC(O)C(F)(F)F)Cc2c1cnn2-c1ccc(F)cc1
• InChI: InChI=1S/C28H26F5N3O2/c1-16-22-13-34-36(20-9-7-19(29)8-10-20)24(22)12-17-6-11-21(26(16)17)27(38)35(15-25(37)28(31,32)33)14-18-4-2-3-5-23(18)30/h2-5,7-10,13,16,21,25,37H,6,11-12,14-15H2,1H3/t16-,21+,25?/m0/s1
• InChIKey: FQLWHJQDTQNBBU-AZULWTHOSA-N
• XLogP: 5.47
• TPSA: 58.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.53
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-[(2-fluorophenyl)methyl]-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?

The IUPAC name of (4R,5R)-1-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide (CID 66861879) is (4R,5R)-1-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide.

What is the SMILES notation for (4R,5R)-1-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?

The canonical SMILES for (4R,5R)-1-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide is C[C@@H]1C2=C(CC[C@H]2C(=O)N(Cc2ccccc2F)CC(O)C(F)(F)F)Cc2c1cnn2-c1ccc(F)cc1.

What is the InChIKey of (4R,5R)-1-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?

The InChIKey is FQLWHJQDTQNBBU-AZULWTHOSA-N. The full InChI is InChI=1S/C28H26F5N3O2/c1-16-22-13-34-36(20-9-7-19(29)8-10-20)24(22)12-17-6-11-21(26(16)17)27(38)35(15-25(37)28(31,32)33)14-18-4-2-3-5-23(18)30/h2-5,7-10,13,16,21,25,37H,6,11-12,14-15H2,1H3/t16-,21+,25?/m0/s1.

What are the key properties of (4R,5R)-1-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide?

(4R,5R)-1-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide has a molecular weight of 531.53 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-1-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazole-5-carboxamide is sourced from PubChem (CID 66861879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).