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

C25H24FIN2O — CID 71102388

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

(5R)-1-(4-fluorophenyl)-5-[2-(2-iodophenyl)ethyl]-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol (PubChem CID 71102388) has the molecular formula C25H24FIN2O and a molecular weight of 514.38 g/mol. Its IUPAC name is (5R)-1-(4-fluorophenyl)-5-[2-(2-iodophenyl)ethyl]-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol.

Molecular Properties

• Compound Name: (5R)-1-(4-fluorophenyl)-5-[2-(2-iodophenyl)ethyl]-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol
• PubChem CID: 71102388
• Molecular Formula: C25H24FIN2O
• Molecular Weight: 514.38 g/mol
• Exact Mass: 514.09
• IUPAC Name: (5R)-1-(4-fluorophenyl)-5-[2-(2-iodophenyl)ethyl]-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol
• SMILES: CC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1ccccc1I
• InChI: InChI=1S/C25H24FIN2O/c1-24-15-18-16-28-29(21-8-6-20(26)7-9-21)23(18)14-19(24)11-13-25(24,30)12-10-17-4-2-3-5-22(17)27/h2-9,14,16,30H,10-13,15H2,1H3/t24?,25-/m0/s1
• InChIKey: QGIYWUPHMZLVOD-BBMPLOMVSA-N
• XLogP: 5.72
• TPSA: 38.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.38
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (5R)-1-(4-fluorophenyl)-5-[2-(2-iodophenyl)ethyl]-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol (CID 71102388) is (5R)-1-(4-fluorophenyl)-5-[2-(2-iodophenyl)ethyl]-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol.

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

The canonical SMILES for (5R)-1-(4-fluorophenyl)-5-[2-(2-iodophenyl)ethyl]-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol is CC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@]2(O)CCc1ccccc1I.

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

The InChIKey is QGIYWUPHMZLVOD-BBMPLOMVSA-N. The full InChI is InChI=1S/C25H24FIN2O/c1-24-15-18-16-28-29(21-8-6-20(26)7-9-21)23(18)14-19(24)11-13-25(24,30)12-10-17-4-2-3-5-22(17)27/h2-9,14,16,30H,10-13,15H2,1H3/t24?,25-/m0/s1.

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

(5R)-1-(4-fluorophenyl)-5-[2-(2-iodophenyl)ethyl]-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol has a molecular weight of 514.38 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-1-(4-fluorophenyl)-5-[2-(2-iodophenyl)ethyl]-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol is sourced from PubChem (CID 71102388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).