5-[2-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol

C25H23F3N2O — CID 85088793

About 5-[2-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol

5-[2-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol (PubChem CID 85088793) has the molecular formula C25H23F3N2O and a molecular weight of 424.47 g/mol. Its IUPAC name is 5-[2-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol.

Molecular Properties

• Compound Name: 5-[2-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol
• PubChem CID: 85088793
• Molecular Formula: C25H23F3N2O
• Molecular Weight: 424.47 g/mol
• Exact Mass: 424.18
• IUPAC Name: 5-[2-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol
• SMILES: CC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC2(O)CCc1ccc(F)cc1F
• InChI: InChI=1S/C25H23F3N2O/c1-24-14-17-15-29-30(21-6-4-19(26)5-7-21)23(17)12-18(24)9-11-25(24,31)10-8-16-2-3-20(27)13-22(16)28/h2-7,12-13,15,31H,8-11,14H2,1H3
• InChIKey: HONMBBSKFDKCKI-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 38.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.47
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol?

The IUPAC name of 5-[2-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol (CID 85088793) is 5-[2-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol.

What is the SMILES notation for 5-[2-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol?

The canonical SMILES for 5-[2-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol is CC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC2(O)CCc1ccc(F)cc1F.

What is the InChIKey of 5-[2-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol?

The InChIKey is HONMBBSKFDKCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O/c1-24-14-17-15-29-30(21-6-4-19(26)5-7-21)23(17)12-18(24)9-11-25(24,31)10-8-16-2-3-20(27)13-22(16)28/h2-7,12-13,15,31H,8-11,14H2,1H3.

What are the key properties of 5-[2-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol?

5-[2-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol has a molecular weight of 424.47 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol is sourced from PubChem (CID 85088793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).