3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide

C26H24F3N3O — CID 42803891

IUPAC3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCc1cccc2c(C(CC(=O)NCc3ccncc3)c3ccccc3C(F)(F)F)c[nH]c12
InChIInChI=1S/C26H24F3N3O/c1-2-18-6-5-8-20-22(16-32-25(18)20)21(19-7-3-4-9-23(19)26(27,28)29)14-24(33)31-15-17-10-12-30-13-11-17/h3-13,16,21,32H,2,14-15H2,1H3,(H,31,33)
InChIKeyLLNVIPLYVSGJDE-UHFFFAOYSA-N
MW451.49 g/mol
LogP5.98
Rot. Bonds7

About 3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide

3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 42803891) has the molecular formula C26H24F3N3O and a molecular weight of 451.49 g/mol. Its IUPAC name is 3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID42803891
Molecular FormulaC26H24F3N3O
Molecular Weight451.49 g/mol
Exact Mass451.19
IUPAC Name3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCc1cccc2c(C(CC(=O)NCc3ccncc3)c3ccccc3C(F)(F)F)c[nH]c12
InChIInChI=1S/C26H24F3N3O/c1-2-18-6-5-8-20-22(16-32-25(18)20)21(19-7-3-4-9-23(19)26(27,28)29)14-24(33)31-15-17-10-12-30-13-11-17/h3-13,16,21,32H,2,14-15H2,1H3,(H,31,33)
InChIKeyLLNVIPLYVSGJDE-UHFFFAOYSA-N
XLogP5.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.49
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide (CID 42803891) is 3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide is CCc1cccc2c(C(CC(=O)NCc3ccncc3)c3ccccc3C(F)(F)F)c[nH]c12.
What is the InChIKey of 3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is LLNVIPLYVSGJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O/c1-2-18-6-5-8-20-22(16-32-25(18)20)21(19-7-3-4-9-23(19)26(27,28)29)14-24(33)31-15-17-10-12-30-13-11-17/h3-13,16,21,32H,2,14-15H2,1H3,(H,31,33).
What are the key properties of 3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide?
3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 451.49 g/mol, XLogP of 5.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 42803891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).