N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(3,5-dimethylphenoxy)acetamide

C19H18ClF3N4O2 — CID 23474277

IUPACN-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCCc2nnc3c(C(F)(F)F)cc(Cl)cn23)c1
InChIInChI=1S/C19H18ClF3N4O2/c1-11-5-12(2)7-14(6-11)29-10-17(28)24-4-3-16-25-26-18-15(19(21,22)23)8-13(20)9-27(16)18/h5-9H,3-4,10H2,1-2H3,(H,24,28)
InChIKeyWPKLINHZWMUOCQ-UHFFFAOYSA-N
MW426.83 g/mol
LogP3.76
Rot. Bonds6

About N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(3,5-dimethylphenoxy)acetamide

N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 23474277) has the molecular formula C19H18ClF3N4O2 and a molecular weight of 426.83 g/mol. Its IUPAC name is N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(3,5-dimethylphenoxy)acetamide
PubChem CID23474277
Molecular FormulaC19H18ClF3N4O2
Molecular Weight426.83 g/mol
Exact Mass426.11
IUPAC NameN-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCCc2nnc3c(C(F)(F)F)cc(Cl)cn23)c1
InChIInChI=1S/C19H18ClF3N4O2/c1-11-5-12(2)7-14(6-11)29-10-17(28)24-4-3-16-25-26-18-15(19(21,22)23)8-13(20)9-27(16)18/h5-9H,3-4,10H2,1-2H3,(H,24,28)
InChIKeyWPKLINHZWMUOCQ-UHFFFAOYSA-N
XLogP3.76
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.83
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(3,5-dimethylphenoxy)acetamide (CID 23474277) is N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)NCCc2nnc3c(C(F)(F)F)cc(Cl)cn23)c1.
What is the InChIKey of N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is WPKLINHZWMUOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N4O2/c1-11-5-12(2)7-14(6-11)29-10-17(28)24-4-3-16-25-26-18-15(19(21,22)23)8-13(20)9-27(16)18/h5-9H,3-4,10H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(3,5-dimethylphenoxy)acetamide?
N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 426.83 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 23474277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).