4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile

C24H16F3N3 — CID 118427632

IUPAC4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile
SMILESC=Cc1cc(C#N)nc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)c1
InChIInChI=1S/C24H16F3N3/c1-2-16-11-21(14-28)29-22(12-16)18-5-8-23-19(13-18)9-10-30(23)15-17-3-6-20(7-4-17)24(25,26)27/h2-13H,1,15H2
InChIKeyWDPOZMWTGQMRNP-UHFFFAOYSA-N
MW403.41 g/mol
LogP6.29
Rot. Bonds4

About 4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile

4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile (PubChem CID 118427632) has the molecular formula C24H16F3N3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile
PubChem CID118427632
Molecular FormulaC24H16F3N3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile
SMILESC=Cc1cc(C#N)nc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)c1
InChIInChI=1S/C24H16F3N3/c1-2-16-11-21(14-28)29-22(12-16)18-5-8-23-19(13-18)9-10-30(23)15-17-3-6-20(7-4-17)24(25,26)27/h2-13H,1,15H2
InChIKeyWDPOZMWTGQMRNP-UHFFFAOYSA-N
XLogP6.29
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.41
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile 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 4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile (CID 118427632) is 4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile is C=Cc1cc(C#N)nc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)c1.
What is the InChIKey of 4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile?
The InChIKey is WDPOZMWTGQMRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3/c1-2-16-11-21(14-28)29-22(12-16)18-5-8-23-19(13-18)9-10-30(23)15-17-3-6-20(7-4-17)24(25,26)27/h2-13H,1,15H2.
What are the key properties of 4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile?
4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile has a molecular weight of 403.41 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 118427632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).