2-cyclobutyl-7-(4-fluorophenyl)-8-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine

C24H20FN5 — CID 134450101

IUPAC2-cyclobutyl-7-(4-fluorophenyl)-8-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)ccn3nc(C4CCC4)nc23)cc2cn[nH]c12
InChIInChI=1S/C24H20FN5/c1-14-11-17(12-18-13-26-28-22(14)18)21-20(15-5-7-19(25)8-6-15)9-10-30-24(21)27-23(29-30)16-3-2-4-16/h5-13,16H,2-4H2,1H3,(H,26,28)
InChIKeyQSCIZKKPKOIJLE-UHFFFAOYSA-N
MW397.46 g/mol
LogP5.65
Rot. Bonds3

About 2-cyclobutyl-7-(4-fluorophenyl)-8-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine

2-cyclobutyl-7-(4-fluorophenyl)-8-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134450101) has the molecular formula C24H20FN5 and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-cyclobutyl-7-(4-fluorophenyl)-8-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-cyclobutyl-7-(4-fluorophenyl)-8-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134450101
Molecular FormulaC24H20FN5
Molecular Weight397.46 g/mol
Exact Mass397.17
IUPAC Name2-cyclobutyl-7-(4-fluorophenyl)-8-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)ccn3nc(C4CCC4)nc23)cc2cn[nH]c12
InChIInChI=1S/C24H20FN5/c1-14-11-17(12-18-13-26-28-22(14)18)21-20(15-5-7-19(25)8-6-15)9-10-30-24(21)27-23(29-30)16-3-2-4-16/h5-13,16H,2-4H2,1H3,(H,26,28)
InChIKeyQSCIZKKPKOIJLE-UHFFFAOYSA-N
XLogP5.65
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.46
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-7-(4-fluorophenyl)-8-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-cyclobutyl-7-(4-fluorophenyl)-8-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134450101) is 2-cyclobutyl-7-(4-fluorophenyl)-8-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-cyclobutyl-7-(4-fluorophenyl)-8-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-cyclobutyl-7-(4-fluorophenyl)-8-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2c(-c3ccc(F)cc3)ccn3nc(C4CCC4)nc23)cc2cn[nH]c12.
What is the InChIKey of 2-cyclobutyl-7-(4-fluorophenyl)-8-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QSCIZKKPKOIJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5/c1-14-11-17(12-18-13-26-28-22(14)18)21-20(15-5-7-19(25)8-6-15)9-10-30-24(21)27-23(29-30)16-3-2-4-16/h5-13,16H,2-4H2,1H3,(H,26,28).
What are the key properties of 2-cyclobutyl-7-(4-fluorophenyl)-8-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine?
2-cyclobutyl-7-(4-fluorophenyl)-8-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 397.46 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-7-(4-fluorophenyl)-8-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134450101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).