2-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]acetamide

C21H22F3N5O2 — CID 83274839

IUPAC2-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)cc1
InChIInChI=1S/C21H22F3N5O2/c1-31-17-5-2-14(3-6-17)12-19(30)25-16-8-10-28(11-9-16)20-27-26-18-7-4-15(13-29(18)20)21(22,23)24/h2-7,13,16H,8-12H2,1H3,(H,25,30)
InChIKeyGKJWRXSEXZHIBP-UHFFFAOYSA-N
MW433.43 g/mol
LogP3.08
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]acetamide

2-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]acetamide (PubChem CID 83274839) has the molecular formula C21H22F3N5O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]acetamide
PubChem CID83274839
Molecular FormulaC21H22F3N5O2
Molecular Weight433.43 g/mol
Exact Mass433.17
IUPAC Name2-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)cc1
InChIInChI=1S/C21H22F3N5O2/c1-31-17-5-2-14(3-6-17)12-19(30)25-16-8-10-28(11-9-16)20-27-26-18-7-4-15(13-29(18)20)21(22,23)24/h2-7,13,16H,8-12H2,1H3,(H,25,30)
InChIKeyGKJWRXSEXZHIBP-UHFFFAOYSA-N
XLogP3.08
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]acetamide (CID 83274839) is 2-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]acetamide is COc1ccc(CC(=O)NC2CCN(c3nnc4ccc(C(F)(F)F)cn34)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]acetamide?
The InChIKey is GKJWRXSEXZHIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2/c1-31-17-5-2-14(3-6-17)12-19(30)25-16-8-10-28(11-9-16)20-27-26-18-7-4-15(13-29(18)20)21(22,23)24/h2-7,13,16H,8-12H2,1H3,(H,25,30).
What are the key properties of 2-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]acetamide?
2-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]acetamide has a molecular weight of 433.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 83274839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).