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

C17H14ClF2N5 — CID 134452619

IUPAC5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2c(C)cc(C(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C17H14ClF2N5/c1-3-13-22-17-8(2)4-11(16(19)20)15(25(17)24-13)9-5-10-7-21-23-14(10)12(18)6-9/h4-7,16H,3H2,1-2H3,(H,21,23)
InChIKeyIERPLOPTSQXGPI-UHFFFAOYSA-N
MW361.78 g/mol
LogP4.73
Rot. Bonds3

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

5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134452619) has the molecular formula C17H14ClF2N5 and a molecular weight of 361.78 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134452619
Molecular FormulaC17H14ClF2N5
Molecular Weight361.78 g/mol
Exact Mass361.09
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2c(C)cc(C(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C17H14ClF2N5/c1-3-13-22-17-8(2)4-11(16(19)20)15(25(17)24-13)9-5-10-7-21-23-14(10)12(18)6-9/h4-7,16H,3H2,1-2H3,(H,21,23)
InChIKeyIERPLOPTSQXGPI-UHFFFAOYSA-N
XLogP4.73
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 54.73
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)-6-(difluoromethyl)-2-ethyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 134452619) is 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridine is CCc1nc2c(C)cc(C(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is IERPLOPTSQXGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N5/c1-3-13-22-17-8(2)4-11(16(19)20)15(25(17)24-13)9-5-10-7-21-23-14(10)12(18)6-9/h4-7,16H,3H2,1-2H3,(H,21,23).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 361.78 g/mol, XLogP of 4.73, 3 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)-6-(difluoromethyl)-2-ethyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134452619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).