(4-ethoxyphenyl)-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone

C20H20F3N5O2 — CID 53203682

IUPAC(4-ethoxyphenyl)-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)cc1
InChIInChI=1S/C20H20F3N5O2/c1-2-30-16-6-3-14(4-7-16)18(29)26-9-11-27(12-10-26)19-25-24-17-8-5-15(13-28(17)19)20(21,22)23/h3-8,13H,2,9-12H2,1H3
InChIKeyBFESVBUOEAZSER-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.11
Rot. Bonds4

About (4-ethoxyphenyl)-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone

(4-ethoxyphenyl)-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone (PubChem CID 53203682) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone
PubChem CID53203682
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name(4-ethoxyphenyl)-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)cc1
InChIInChI=1S/C20H20F3N5O2/c1-2-30-16-6-3-14(4-7-16)18(29)26-9-11-27(12-10-26)19-25-24-17-8-5-15(13-28(17)19)20(21,22)23/h3-8,13H,2,9-12H2,1H3
InChIKeyBFESVBUOEAZSER-UHFFFAOYSA-N
XLogP3.11
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone (CID 53203682) is (4-ethoxyphenyl)-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone?
The InChIKey is BFESVBUOEAZSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-2-30-16-6-3-14(4-7-16)18(29)26-9-11-27(12-10-26)19-25-24-17-8-5-15(13-28(17)19)20(21,22)23/h3-8,13H,2,9-12H2,1H3.
What are the key properties of (4-ethoxyphenyl)-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone?
(4-ethoxyphenyl)-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone has a molecular weight of 419.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 53203682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).