1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-(7-nitro-1H-indol-3-yl)propan-2-ol

C24H16F4N4O3 — CID 91320323

About 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-(7-nitro-1H-indol-3-yl)propan-2-ol

1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-(7-nitro-1H-indol-3-yl)propan-2-ol (PubChem CID 91320323) has the molecular formula C24H16F4N4O3 and a molecular weight of 484.41 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-(7-nitro-1H-indol-3-yl)propan-2-ol.

Molecular Properties

• Compound Name: 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-(7-nitro-1H-indol-3-yl)propan-2-ol
• PubChem CID: 91320323
• Molecular Formula: C24H16F4N4O3
• Molecular Weight: 484.41 g/mol
• Exact Mass: 484.12
• IUPAC Name: 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-(7-nitro-1H-indol-3-yl)propan-2-ol
• SMILES: O=[N+]([O-])c1cccc2c(CC(O)(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(F)(F)F)c[nH]c12
• InChI: InChI=1S/C24H16F4N4O3/c25-17-5-7-18(8-6-17)31-20-9-4-16(10-14(20)13-30-31)23(33,24(26,27)28)11-15-12-29-22-19(15)2-1-3-21(22)32(34)35/h1-10,12-13,29,33H,11H2
• InChIKey: LZORSVDKRKHMAV-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 96.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.41
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-(7-nitro-1H-indol-3-yl)propan-2-ol?

The IUPAC name of 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-(7-nitro-1H-indol-3-yl)propan-2-ol (CID 91320323) is 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-(7-nitro-1H-indol-3-yl)propan-2-ol.

What is the SMILES notation for 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-(7-nitro-1H-indol-3-yl)propan-2-ol?

The canonical SMILES for 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-(7-nitro-1H-indol-3-yl)propan-2-ol is O=[N+]([O-])c1cccc2c(CC(O)(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(F)(F)F)c[nH]c12.

What is the InChIKey of 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-(7-nitro-1H-indol-3-yl)propan-2-ol?

The InChIKey is LZORSVDKRKHMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N4O3/c25-17-5-7-18(8-6-17)31-20-9-4-16(10-14(20)13-30-31)23(33,24(26,27)28)11-15-12-29-22-19(15)2-1-3-21(22)32(34)35/h1-10,12-13,29,33H,11H2.

What are the key properties of 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-(7-nitro-1H-indol-3-yl)propan-2-ol?

1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-(7-nitro-1H-indol-3-yl)propan-2-ol has a molecular weight of 484.41 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-(7-nitro-1H-indol-3-yl)propan-2-ol is sourced from PubChem (CID 91320323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).