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

C16H8ClF6N5 — CID 134458071

IUPAC5-(7-chloro-1H-indazol-5-yl)-8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(C(F)(F)F)c(-c2cc(Cl)c3[nH]ncc3c2)n2nc(C(F)(F)F)nc12
InChIInChI=1S/C16H8ClF6N5/c1-6-2-9(15(18,19)20)12(28-13(6)25-14(27-28)16(21,22)23)7-3-8-5-24-26-11(8)10(17)4-7/h2-5H,1H3,(H,24,26)
InChIKeySFYAOBFERNLZHO-UHFFFAOYSA-N
MW419.72 g/mol
LogP5.27
Rot. Bonds1

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

5-(7-chloro-1H-indazol-5-yl)-8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134458071) has the molecular formula C16H8ClF6N5 and a molecular weight of 419.72 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134458071
Molecular FormulaC16H8ClF6N5
Molecular Weight419.72 g/mol
Exact Mass419.04
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(C(F)(F)F)c(-c2cc(Cl)c3[nH]ncc3c2)n2nc(C(F)(F)F)nc12
InChIInChI=1S/C16H8ClF6N5/c1-6-2-9(15(18,19)20)12(28-13(6)25-14(27-28)16(21,22)23)7-3-8-5-24-26-11(8)10(17)4-7/h2-5H,1H3,(H,24,26)
InChIKeySFYAOBFERNLZHO-UHFFFAOYSA-N
XLogP5.27
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.72
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134458071) is 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(C(F)(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)-8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is SFYAOBFERNLZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF6N5/c1-6-2-9(15(18,19)20)12(28-13(6)25-14(27-28)16(21,22)23)7-3-8-5-24-26-11(8)10(17)4-7/h2-5H,1H3,(H,24,26).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-(7-chloro-1H-indazol-5-yl)-8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 419.72 g/mol, XLogP of 5.27, 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)-8-methyl-2,6-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134458071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).