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

C16H9ClF5N5 — CID 134452559

IUPAC5-(7-chloro-1H-indazol-5-yl)-6-(1,1-difluoroethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(F)(F)c1ccc2nc(C(F)(F)F)nn2c1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C16H9ClF5N5/c1-15(18,19)9-2-3-11-24-14(16(20,21)22)26-27(11)13(9)7-4-8-6-23-25-12(8)10(17)5-7/h2-6H,1H3,(H,23,25)
InChIKeyUQZCVPDPZKFDOG-UHFFFAOYSA-N
MW401.73 g/mol
LogP5.06
Rot. Bonds2

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

5-(7-chloro-1H-indazol-5-yl)-6-(1,1-difluoroethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134452559) has the molecular formula C16H9ClF5N5 and a molecular weight of 401.73 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-6-(1,1-difluoroethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-6-(1,1-difluoroethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134452559
Molecular FormulaC16H9ClF5N5
Molecular Weight401.73 g/mol
Exact Mass401.05
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-6-(1,1-difluoroethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(F)(F)c1ccc2nc(C(F)(F)F)nn2c1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C16H9ClF5N5/c1-15(18,19)9-2-3-11-24-14(16(20,21)22)26-27(11)13(9)7-4-8-6-23-25-12(8)10(17)5-7/h2-6H,1H3,(H,23,25)
InChIKeyUQZCVPDPZKFDOG-UHFFFAOYSA-N
XLogP5.06
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.73
LogP ≤ 55.06
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-(1,1-difluoroethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-(1,1-difluoroethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134452559) is 5-(7-chloro-1H-indazol-5-yl)-6-(1,1-difluoroethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-6-(1,1-difluoroethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-6-(1,1-difluoroethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is CC(F)(F)c1ccc2nc(C(F)(F)F)nn2c1-c1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-6-(1,1-difluoroethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is UQZCVPDPZKFDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF5N5/c1-15(18,19)9-2-3-11-24-14(16(20,21)22)26-27(11)13(9)7-4-8-6-23-25-12(8)10(17)5-7/h2-6H,1H3,(H,23,25).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-6-(1,1-difluoroethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-(7-chloro-1H-indazol-5-yl)-6-(1,1-difluoroethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 401.73 g/mol, XLogP of 5.06, 2 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-(1,1-difluoroethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134452559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).