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

C22H16F3N7O2 — CID 176939108

IUPAC2-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)indazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESNc1nc2cc(-c3nn(CC(=O)Nc4ccc(OC(F)(F)F)cc4)c4ccccc34)ccn2n1
InChIInChI=1S/C22H16F3N7O2/c23-22(24,25)34-15-7-5-14(6-8-15)27-19(33)12-32-17-4-2-1-3-16(17)20(29-32)13-9-10-31-18(11-13)28-21(26)30-31/h1-11H,12H2,(H2,26,30)(H,27,33)
InChIKeyRAHAWNFFJRBDKD-UHFFFAOYSA-N
MW467.41 g/mol
LogP3.87
Rot. Bonds5

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

2-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)indazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 176939108) has the molecular formula C22H16F3N7O2 and a molecular weight of 467.41 g/mol. Its IUPAC name is 2-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)indazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)indazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID176939108
Molecular FormulaC22H16F3N7O2
Molecular Weight467.41 g/mol
Exact Mass467.13
IUPAC Name2-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)indazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESNc1nc2cc(-c3nn(CC(=O)Nc4ccc(OC(F)(F)F)cc4)c4ccccc34)ccn2n1
InChIInChI=1S/C22H16F3N7O2/c23-22(24,25)34-15-7-5-14(6-8-15)27-19(33)12-32-17-4-2-1-3-16(17)20(29-32)13-9-10-31-18(11-13)28-21(26)30-31/h1-11H,12H2,(H2,26,30)(H,27,33)
InChIKeyRAHAWNFFJRBDKD-UHFFFAOYSA-N
XLogP3.87
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 176939055
3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 18097743
2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30867745
2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 90542362
2-naphthalen-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4844198
3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 36840698
N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide
CID 155682509
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-pyrrol-1-ylbenzoate
CID 40690715
2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16906658
2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711309
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 1-methylpyrrole-2-carboxylate
CID 2629196
N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxophthalazin-2-yl]acetamide
CID 1259083

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)indazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)indazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 176939108) is 2-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)indazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)indazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)indazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is Nc1nc2cc(-c3nn(CC(=O)Nc4ccc(OC(F)(F)F)cc4)c4ccccc34)ccn2n1.
What is the InChIKey of 2-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)indazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is RAHAWNFFJRBDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N7O2/c23-22(24,25)34-15-7-5-14(6-8-15)27-19(33)12-32-17-4-2-1-3-16(17)20(29-32)13-9-10-31-18(11-13)28-21(26)30-31/h1-11H,12H2,(H2,26,30)(H,27,33).
What are the key properties of 2-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)indazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)indazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 467.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)indazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 176939108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).