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

C16H11ClF3N5 — CID 134457791

IUPAC5-(7-chloro-1H-indazol-5-yl)-2,8-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc2c(C)cc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C16H11ClF3N5/c1-7-3-11(16(18,19)20)14(25-15(7)22-8(2)24-25)9-4-10-6-21-23-13(10)12(17)5-9/h3-6H,1-2H3,(H,21,23)
InChIKeyKGHDVLCLQWBOBX-UHFFFAOYSA-N
MW365.75 g/mol
LogP4.56
Rot. Bonds1

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

5-(7-chloro-1H-indazol-5-yl)-2,8-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134457791) has the molecular formula C16H11ClF3N5 and a molecular weight of 365.75 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-2,8-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-2,8-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134457791
Molecular FormulaC16H11ClF3N5
Molecular Weight365.75 g/mol
Exact Mass365.07
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-2,8-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc2c(C)cc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C16H11ClF3N5/c1-7-3-11(16(18,19)20)14(25-15(7)22-8(2)24-25)9-4-10-6-21-23-13(10)12(17)5-9/h3-6H,1-2H3,(H,21,23)
InChIKeyKGHDVLCLQWBOBX-UHFFFAOYSA-N
XLogP4.56
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.75
LogP ≤ 54.56
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)-2,8-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-2,8-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134457791) is 5-(7-chloro-1H-indazol-5-yl)-2,8-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-2,8-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-2,8-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1nc2c(C)cc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-2,8-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KGHDVLCLQWBOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N5/c1-7-3-11(16(18,19)20)14(25-15(7)22-8(2)24-25)9-4-10-6-21-23-13(10)12(17)5-9/h3-6H,1-2H3,(H,21,23).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-2,8-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-(7-chloro-1H-indazol-5-yl)-2,8-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 365.75 g/mol, XLogP of 4.56, 1 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)-2,8-dimethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134457791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).