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

C23H18FN5 — CID 134452569

IUPAC2-cyclopropyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)ccc3nc(C4CC4)nn23)cc2cn[nH]c12
InChIInChI=1S/C23H18FN5/c1-13-10-16(11-17-12-25-27-21(13)17)22-19(14-4-6-18(24)7-5-14)8-9-20-26-23(15-2-3-15)28-29(20)22/h4-12,15H,2-3H2,1H3,(H,25,27)
InChIKeyDPJHLFHYHCWZLK-UHFFFAOYSA-N
MW383.43 g/mol
LogP5.26
Rot. Bonds3

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

2-cyclopropyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134452569) has the molecular formula C23H18FN5 and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-cyclopropyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134452569
Molecular FormulaC23H18FN5
Molecular Weight383.43 g/mol
Exact Mass383.15
IUPAC Name2-cyclopropyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)ccc3nc(C4CC4)nn23)cc2cn[nH]c12
InChIInChI=1S/C23H18FN5/c1-13-10-16(11-17-12-25-27-21(13)17)22-19(14-4-6-18(24)7-5-14)8-9-20-26-23(15-2-3-15)28-29(20)22/h4-12,15H,2-3H2,1H3,(H,25,27)
InChIKeyDPJHLFHYHCWZLK-UHFFFAOYSA-N
XLogP5.26
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.43
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-cyclopropyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134452569) is 2-cyclopropyl-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-cyclopropyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-cyclopropyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2c(-c3ccc(F)cc3)ccc3nc(C4CC4)nn23)cc2cn[nH]c12.
What is the InChIKey of 2-cyclopropyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is DPJHLFHYHCWZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5/c1-13-10-16(11-17-12-25-27-21(13)17)22-19(14-4-6-18(24)7-5-14)8-9-20-26-23(15-2-3-15)28-29(20)22/h4-12,15H,2-3H2,1H3,(H,25,27).
What are the key properties of 2-cyclopropyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine?
2-cyclopropyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 383.43 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(4-fluorophenyl)-5-(7-methyl-1H-indazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134452569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).