2-indol-1-yl-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

C18H14F3N5O — CID 91632781

IUPAC2-indol-1-yl-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(Cn1ccc2ccccc21)NCc1nnc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)13-6-8-26-15(9-13)23-24-16(26)10-22-17(27)11-25-7-5-12-3-1-2-4-14(12)25/h1-9H,10-11H2,(H,22,27)
InChIKeyFHDQWKRNYHFTAH-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.02
Rot. Bonds4

About 2-indol-1-yl-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

2-indol-1-yl-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (PubChem CID 91632781) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is 2-indol-1-yl-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
PubChem CID91632781
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC Name2-indol-1-yl-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(Cn1ccc2ccccc21)NCc1nnc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)13-6-8-26-15(9-13)23-24-16(26)10-22-17(27)11-25-7-5-12-3-1-2-4-14(12)25/h1-9H,10-11H2,(H,22,27)
InChIKeyFHDQWKRNYHFTAH-UHFFFAOYSA-N
XLogP3.02
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The IUPAC name of 2-indol-1-yl-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (CID 91632781) is 2-indol-1-yl-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is O=C(Cn1ccc2ccccc21)NCc1nnc2cc(C(F)(F)F)ccn12.
What is the InChIKey of 2-indol-1-yl-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The InChIKey is FHDQWKRNYHFTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c19-18(20,21)13-6-8-26-15(9-13)23-24-16(26)10-22-17(27)11-25-7-5-12-3-1-2-4-14(12)25/h1-9H,10-11H2,(H,22,27).
What are the key properties of 2-indol-1-yl-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
2-indol-1-yl-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide has a molecular weight of 373.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[[7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 91632781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).