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

C18H15ClF3N5 — CID 134457862

IUPAC5-(7-chloro-1H-indazol-5-yl)-2,8-diethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2c(CC)cc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C18H15ClF3N5/c1-3-9-6-12(18(20,21)22)16(27-17(9)24-14(4-2)26-27)10-5-11-8-23-25-15(11)13(19)7-10/h5-8H,3-4H2,1-2H3,(H,23,25)
InChIKeyYBHPBHDLEXUXCN-UHFFFAOYSA-N
MW393.80 g/mol
LogP5.07
Rot. Bonds3

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

5-(7-chloro-1H-indazol-5-yl)-2,8-diethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134457862) has the molecular formula C18H15ClF3N5 and a molecular weight of 393.80 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-2,8-diethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-2,8-diethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134457862
Molecular FormulaC18H15ClF3N5
Molecular Weight393.80 g/mol
Exact Mass393.10
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-2,8-diethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2c(CC)cc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C18H15ClF3N5/c1-3-9-6-12(18(20,21)22)16(27-17(9)24-14(4-2)26-27)10-5-11-8-23-25-15(11)13(19)7-10/h5-8H,3-4H2,1-2H3,(H,23,25)
InChIKeyYBHPBHDLEXUXCN-UHFFFAOYSA-N
XLogP5.07
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.80
LogP ≤ 55.07
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)-2,8-diethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-2,8-diethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134457862) is 5-(7-chloro-1H-indazol-5-yl)-2,8-diethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-2,8-diethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-2,8-diethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is CCc1nc2c(CC)cc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-2,8-diethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is YBHPBHDLEXUXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N5/c1-3-9-6-12(18(20,21)22)16(27-17(9)24-14(4-2)26-27)10-5-11-8-23-25-15(11)13(19)7-10/h5-8H,3-4H2,1-2H3,(H,23,25).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-2,8-diethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-(7-chloro-1H-indazol-5-yl)-2,8-diethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 393.80 g/mol, XLogP of 5.07, 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)-2,8-diethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134457862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).