2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide

C22H17F3N4O2 — CID 176939255

IUPAC2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(Cc1ccc(-c2ccn3ncnc3c2)cc1)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H17F3N4O2/c23-22(24,25)31-19-3-1-2-16(10-19)13-26-21(30)11-15-4-6-17(7-5-15)18-8-9-29-20(12-18)27-14-28-29/h1-10,12,14H,11,13H2,(H,26,30)
InChIKeyMJMISCRUUYMVMQ-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.15
Rot. Bonds6

About 2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide

2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 176939255) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID176939255
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(Cc1ccc(-c2ccn3ncnc3c2)cc1)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H17F3N4O2/c23-22(24,25)31-19-3-1-2-16(10-19)13-26-21(30)11-15-4-6-17(7-5-15)18-8-9-29-20(12-18)27-14-28-29/h1-10,12,14H,11,13H2,(H,26,30)
InChIKeyMJMISCRUUYMVMQ-UHFFFAOYSA-N
XLogP4.15
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide (CID 176939255) is 2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide is O=C(Cc1ccc(-c2ccn3ncnc3c2)cc1)NCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is MJMISCRUUYMVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c23-22(24,25)31-19-3-1-2-16(10-19)13-26-21(30)11-15-4-6-17(7-5-15)18-8-9-29-20(12-18)27-14-28-29/h1-10,12,14H,11,13H2,(H,26,30).
What are the key properties of 2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide?
2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 426.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 176939255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).