5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C17H11ClF5N5 — CID 134452596

IUPAC5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1cc(C(F)F)c(-c2cc(Cl)c3[nH]ncc3c2)n2nc(C(F)(F)F)nc12
InChIInChI=1S/C17H11ClF5N5/c1-2-7-4-10(14(19)20)13(28-15(7)25-16(27-28)17(21,22)23)8-3-9-6-24-26-12(9)11(18)5-8/h3-6,14H,2H2,1H3,(H,24,26)
InChIKeyHNJJBFJMPBGOQP-UHFFFAOYSA-N
MW415.75 g/mol
LogP5.44
Rot. Bonds3

About 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134452596) has the molecular formula C17H11ClF5N5 and a molecular weight of 415.75 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134452596
Molecular FormulaC17H11ClF5N5
Molecular Weight415.75 g/mol
Exact Mass415.06
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1cc(C(F)F)c(-c2cc(Cl)c3[nH]ncc3c2)n2nc(C(F)(F)F)nc12
InChIInChI=1S/C17H11ClF5N5/c1-2-7-4-10(14(19)20)13(28-15(7)25-16(27-28)17(21,22)23)8-3-9-6-24-26-12(9)11(18)5-8/h3-6,14H,2H2,1H3,(H,24,26)
InChIKeyHNJJBFJMPBGOQP-UHFFFAOYSA-N
XLogP5.44
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.75
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134452596) is 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is CCc1cc(C(F)F)c(-c2cc(Cl)c3[nH]ncc3c2)n2nc(C(F)(F)F)nc12.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HNJJBFJMPBGOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF5N5/c1-2-7-4-10(14(19)20)13(28-15(7)25-16(27-28)17(21,22)23)8-3-9-6-24-26-12(9)11(18)5-8/h3-6,14H,2H2,1H3,(H,24,26).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 415.75 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-8-ethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134452596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).