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

C28H20F3N3O3 — CID 89134276

IUPAC6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C28H20F3N3O3/c1-18-10-11-19-16-25(33-26(19)34(18)21-12-14-23(15-13-21)37-28(29,30)31)27(35)32-20-6-5-9-24(17-20)36-22-7-3-2-4-8-22/h2-17,33H,1H2,(H,32,35)
InChIKeyFBKAYWMYECFSIR-UHFFFAOYSA-N
MW503.48 g/mol
LogP7.64
Rot. Bonds6

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

6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 89134276) has the molecular formula C28H20F3N3O3 and a molecular weight of 503.48 g/mol. Its IUPAC name is 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID89134276
Molecular FormulaC28H20F3N3O3
Molecular Weight503.48 g/mol
Exact Mass503.15
IUPAC Name6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C28H20F3N3O3/c1-18-10-11-19-16-25(33-26(19)34(18)21-12-14-23(15-13-21)37-28(29,30)31)27(35)32-20-6-5-9-24(17-20)36-22-7-3-2-4-8-22/h2-17,33H,1H2,(H,32,35)
InChIKeyFBKAYWMYECFSIR-UHFFFAOYSA-N
XLogP7.64
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.48
LogP ≤ 57.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 89134276) is 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is FBKAYWMYECFSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3N3O3/c1-18-10-11-19-16-25(33-26(19)34(18)21-12-14-23(15-13-21)37-28(29,30)31)27(35)32-20-6-5-9-24(17-20)36-22-7-3-2-4-8-22/h2-17,33H,1H2,(H,32,35).
What are the key properties of 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 503.48 g/mol, XLogP of 7.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-N-(3-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 89134276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).