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

C22H18FN5 — CID 134452567

IUPAC2-ethyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2ccc(-c3ccc(F)cc3)c(-c3cc(C)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C22H18FN5/c1-3-19-25-20-9-8-18(14-4-6-17(23)7-5-14)22(28(20)27-19)15-10-13(2)21-16(11-15)12-24-26-21/h4-12H,3H2,1-2H3,(H,24,26)
InChIKeyTVMWZRZTIRIKQU-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.95
Rot. Bonds3

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

2-ethyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134452567) has the molecular formula C22H18FN5 and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-ethyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-ethyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134452567
Molecular FormulaC22H18FN5
Molecular Weight371.42 g/mol
Exact Mass371.15
IUPAC Name2-ethyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2ccc(-c3ccc(F)cc3)c(-c3cc(C)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C22H18FN5/c1-3-19-25-20-9-8-18(14-4-6-17(23)7-5-14)22(28(20)27-19)15-10-13(2)21-16(11-15)12-24-26-21/h4-12H,3H2,1-2H3,(H,24,26)
InChIKeyTVMWZRZTIRIKQU-UHFFFAOYSA-N
XLogP4.95
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-ethyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134452567) is 2-ethyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-ethyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-ethyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine is CCc1nc2ccc(-c3ccc(F)cc3)c(-c3cc(C)c4[nH]ncc4c3)n2n1.
What is the InChIKey of 2-ethyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is TVMWZRZTIRIKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5/c1-3-19-25-20-9-8-18(14-4-6-17(23)7-5-14)22(28(20)27-19)15-10-13(2)21-16(11-15)12-24-26-21/h4-12H,3H2,1-2H3,(H,24,26).
What are the key properties of 2-ethyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine?
2-ethyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 371.42 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134452567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).