N-[6-(3,3-dimethyl-2H-indol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-fluoro-5-formyl-4-hydroxybenzamide

C24H19F4N3O3 — CID 155143344

About N-[6-(3,3-dimethyl-2H-indol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-fluoro-5-formyl-4-hydroxybenzamide

N-[6-(3,3-dimethyl-2H-indol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-fluoro-5-formyl-4-hydroxybenzamide (PubChem CID 155143344) has the molecular formula C24H19F4N3O3 and a molecular weight of 473.43 g/mol. Its IUPAC name is N-[6-(3,3-dimethyl-2H-indol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-fluoro-5-formyl-4-hydroxybenzamide.

Molecular Properties

• Compound Name: N-[6-(3,3-dimethyl-2H-indol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-fluoro-5-formyl-4-hydroxybenzamide
• PubChem CID: 155143344
• Molecular Formula: C24H19F4N3O3
• Molecular Weight: 473.43 g/mol
• Exact Mass: 473.14
• IUPAC Name: N-[6-(3,3-dimethyl-2H-indol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-fluoro-5-formyl-4-hydroxybenzamide
• SMILES: CC1(C)CN(c2ncc(NC(=O)c3cc(F)c(O)c(C=O)c3)cc2C(F)(F)F)c2ccccc21
• InChI: InChI=1S/C24H19F4N3O3/c1-23(2)12-31(19-6-4-3-5-16(19)23)21-17(24(26,27)28)9-15(10-29-21)30-22(34)13-7-14(11-32)20(33)18(25)8-13/h3-11,33H,12H2,1-2H3,(H,30,34)
• InChIKey: XILBNELQLIWPKR-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 82.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.43
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-dimethyl-2H-indol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-fluoro-5-formyl-4-hydroxybenzamide?

The IUPAC name of N-[6-(3,3-dimethyl-2H-indol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-fluoro-5-formyl-4-hydroxybenzamide (CID 155143344) is N-[6-(3,3-dimethyl-2H-indol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-fluoro-5-formyl-4-hydroxybenzamide.

What is the SMILES notation for N-[6-(3,3-dimethyl-2H-indol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-fluoro-5-formyl-4-hydroxybenzamide?

The canonical SMILES for N-[6-(3,3-dimethyl-2H-indol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-fluoro-5-formyl-4-hydroxybenzamide is CC1(C)CN(c2ncc(NC(=O)c3cc(F)c(O)c(C=O)c3)cc2C(F)(F)F)c2ccccc21.

What is the InChIKey of N-[6-(3,3-dimethyl-2H-indol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-fluoro-5-formyl-4-hydroxybenzamide?

The InChIKey is XILBNELQLIWPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O3/c1-23(2)12-31(19-6-4-3-5-16(19)23)21-17(24(26,27)28)9-15(10-29-21)30-22(34)13-7-14(11-32)20(33)18(25)8-13/h3-11,33H,12H2,1-2H3,(H,30,34).

What are the key properties of N-[6-(3,3-dimethyl-2H-indol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-fluoro-5-formyl-4-hydroxybenzamide?

N-[6-(3,3-dimethyl-2H-indol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-fluoro-5-formyl-4-hydroxybenzamide has a molecular weight of 473.43 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(3,3-dimethyl-2H-indol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-fluoro-5-formyl-4-hydroxybenzamide is sourced from PubChem (CID 155143344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).