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

C17H13ClF3N5 — CID 134458000

IUPAC5-(7-chloro-1H-indazol-5-yl)-2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2c(C)cc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C17H13ClF3N5/c1-3-13-23-16-8(2)4-11(17(19,20)21)15(26(16)25-13)9-5-10-7-22-24-14(10)12(18)6-9/h4-7H,3H2,1-2H3,(H,22,24)
InChIKeyAJPDHVOETTVCJY-UHFFFAOYSA-N
MW379.77 g/mol
LogP4.82
Rot. Bonds2

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

5-(7-chloro-1H-indazol-5-yl)-2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134458000) has the molecular formula C17H13ClF3N5 and a molecular weight of 379.77 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134458000
Molecular FormulaC17H13ClF3N5
Molecular Weight379.77 g/mol
Exact Mass379.08
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2c(C)cc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C17H13ClF3N5/c1-3-13-23-16-8(2)4-11(17(19,20)21)15(26(16)25-13)9-5-10-7-22-24-14(10)12(18)6-9/h4-7H,3H2,1-2H3,(H,22,24)
InChIKeyAJPDHVOETTVCJY-UHFFFAOYSA-N
XLogP4.82
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.77
LogP ≤ 54.82
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-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134458000) is 5-(7-chloro-1H-indazol-5-yl)-2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is CCc1nc2c(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-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is AJPDHVOETTVCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N5/c1-3-13-23-16-8(2)4-11(17(19,20)21)15(26(16)25-13)9-5-10-7-22-24-14(10)12(18)6-9/h4-7H,3H2,1-2H3,(H,22,24).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-(7-chloro-1H-indazol-5-yl)-2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 379.77 g/mol, XLogP of 4.82, 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)-2-ethyl-8-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134458000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).