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

C16H10F5N5 — CID 134457859

IUPAC2-(difluoromethyl)-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(C(F)(F)F)ccc3nc(C(F)F)nn23)cc2cn[nH]c12
InChIInChI=1S/C16H10F5N5/c1-7-4-8(5-9-6-22-24-12(7)9)13-10(16(19,20)21)2-3-11-23-15(14(17)18)25-26(11)13/h2-6,14H,1H3,(H,22,24)
InChIKeyXFHDFIPWBZJNPK-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.54
Rot. Bonds2

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

2-(difluoromethyl)-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134457859) has the molecular formula C16H10F5N5 and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134457859
Molecular FormulaC16H10F5N5
Molecular Weight367.28 g/mol
Exact Mass367.09
IUPAC Name2-(difluoromethyl)-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(C(F)(F)F)ccc3nc(C(F)F)nn23)cc2cn[nH]c12
InChIInChI=1S/C16H10F5N5/c1-7-4-8(5-9-6-22-24-12(7)9)13-10(16(19,20)21)2-3-11-23-15(14(17)18)25-26(11)13/h2-6,14H,1H3,(H,22,24)
InChIKeyXFHDFIPWBZJNPK-UHFFFAOYSA-N
XLogP4.54
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 23647348

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(difluoromethyl)-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134457859) is 2-(difluoromethyl)-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(difluoromethyl)-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(difluoromethyl)-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2c(C(F)(F)F)ccc3nc(C(F)F)nn23)cc2cn[nH]c12.
What is the InChIKey of 2-(difluoromethyl)-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is XFHDFIPWBZJNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5N5/c1-7-4-8(5-9-6-22-24-12(7)9)13-10(16(19,20)21)2-3-11-23-15(14(17)18)25-26(11)13/h2-6,14H,1H3,(H,22,24).
What are the key properties of 2-(difluoromethyl)-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
2-(difluoromethyl)-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 367.28 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(7-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134457859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).