6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C28H20F3N3O2 — CID 89134333

About 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 89134333) has the molecular formula C28H20F3N3O2 and a molecular weight of 487.48 g/mol. Its IUPAC name is 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 89134333
• Molecular Formula: C28H20F3N3O2
• Molecular Weight: 487.48 g/mol
• Exact Mass: 487.15
• IUPAC Name: 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: C=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C28H20F3N3O2/c1-18-10-11-19-16-25(33-26(19)34(18)22-14-12-20(13-15-22)28(29,30)31)27(35)32-21-6-5-9-24(17-21)36-23-7-3-2-4-8-23/h2-17,33H,1H2,(H,32,35)
• InChIKey: FDUAOQVFYLGSRU-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.48
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 89134333) is 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The InChIKey is FDUAOQVFYLGSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3N3O2/c1-18-10-11-19-16-25(33-26(19)34(18)22-14-12-20(13-15-22)28(29,30)31)27(35)32-21-6-5-9-24(17-21)36-23-7-3-2-4-8-23/h2-17,33H,1H2,(H,32,35).

What are the key properties of 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 487.48 g/mol, XLogP of 7.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 89134333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).