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

C15H7ClF5N5 — CID 134450121

IUPAC8-(7-chloro-1H-indazol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)c1ccn2nc(C(F)(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C15H7ClF5N5/c16-9-4-6(3-7-5-22-24-11(7)9)10-8(12(17)18)1-2-26-13(10)23-14(25-26)15(19,20)21/h1-5,12H,(H,22,24)
InChIKeyDQWRORKRBWZKME-UHFFFAOYSA-N
MW387.70 g/mol
LogP4.88
Rot. Bonds2

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

8-(7-chloro-1H-indazol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134450121) has the molecular formula C15H7ClF5N5 and a molecular weight of 387.70 g/mol. Its IUPAC name is 8-(7-chloro-1H-indazol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(7-chloro-1H-indazol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134450121
Molecular FormulaC15H7ClF5N5
Molecular Weight387.70 g/mol
Exact Mass387.03
IUPAC Name8-(7-chloro-1H-indazol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)c1ccn2nc(C(F)(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C15H7ClF5N5/c16-9-4-6(3-7-5-22-24-11(7)9)10-8(12(17)18)1-2-26-13(10)23-14(25-26)15(19,20)21/h1-5,12H,(H,22,24)
InChIKeyDQWRORKRBWZKME-UHFFFAOYSA-N
XLogP4.88
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.70
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(7-chloro-1H-indazol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(7-chloro-1H-indazol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134450121) is 8-(7-chloro-1H-indazol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(7-chloro-1H-indazol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(7-chloro-1H-indazol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is FC(F)c1ccn2nc(C(F)(F)F)nc2c1-c1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 8-(7-chloro-1H-indazol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is DQWRORKRBWZKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF5N5/c16-9-4-6(3-7-5-22-24-11(7)9)10-8(12(17)18)1-2-26-13(10)23-14(25-26)15(19,20)21/h1-5,12H,(H,22,24).
What are the key properties of 8-(7-chloro-1H-indazol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
8-(7-chloro-1H-indazol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 387.70 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-chloro-1H-indazol-5-yl)-7-(difluoromethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134450121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).