2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine

C17H14FN5S — CID 44547223

IUPAC2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccc(F)cc2)nc1CSc1nc2ccccn2n1
InChIInChI=1S/C17H14FN5S/c1-22-10-14(12-5-7-13(18)8-6-12)19-16(22)11-24-17-20-15-4-2-3-9-23(15)21-17/h2-10H,11H2,1H3
InChIKeyORBQLKJUUCBRFJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.56
Rot. Bonds4

About 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine

2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 44547223) has the molecular formula C17H14FN5S and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID44547223
Molecular FormulaC17H14FN5S
Molecular Weight339.40 g/mol
Exact Mass339.10
IUPAC Name2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccc(F)cc2)nc1CSc1nc2ccccn2n1
InChIInChI=1S/C17H14FN5S/c1-22-10-14(12-5-7-13(18)8-6-12)19-16(22)11-24-17-20-15-4-2-3-9-23(15)21-17/h2-10H,11H2,1H3
InChIKeyORBQLKJUUCBRFJ-UHFFFAOYSA-N
XLogP3.56
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 44547223) is 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine is Cn1cc(-c2ccc(F)cc2)nc1CSc1nc2ccccn2n1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ORBQLKJUUCBRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5S/c1-22-10-14(12-5-7-13(18)8-6-12)19-16(22)11-24-17-20-15-4-2-3-9-23(15)21-17/h2-10H,11H2,1H3.
What are the key properties of 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 339.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 44547223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).