2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

C19H20FN5S — CID 118445859

IUPAC2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(C)n2nc(CCc3nc(-c4cccs4)cn3CCF)nc2c1
InChIInChI=1S/C19H20FN5S/c1-13-10-14(2)25-19(11-13)22-17(23-25)5-6-18-21-15(12-24(18)8-7-20)16-4-3-9-26-16/h3-4,9-12H,5-8H2,1-2H3
InChIKeyXLSFPMRPPBHLHZ-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.03
Rot. Bonds6

About 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 118445859) has the molecular formula C19H20FN5S and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID118445859
Molecular FormulaC19H20FN5S
Molecular Weight369.47 g/mol
Exact Mass369.14
IUPAC Name2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(C)n2nc(CCc3nc(-c4cccs4)cn3CCF)nc2c1
InChIInChI=1S/C19H20FN5S/c1-13-10-14(2)25-19(11-13)22-17(23-25)5-6-18-21-15(12-24(18)8-7-20)16-4-3-9-26-16/h3-4,9-12H,5-8H2,1-2H3
InChIKeyXLSFPMRPPBHLHZ-UHFFFAOYSA-N
XLogP4.03
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (CID 118445859) is 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(C)n2nc(CCc3nc(-c4cccs4)cn3CCF)nc2c1.
What is the InChIKey of 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is XLSFPMRPPBHLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5S/c1-13-10-14(2)25-19(11-13)22-17(23-25)5-6-18-21-15(12-24(18)8-7-20)16-4-3-9-26-16/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 369.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-fluoroethyl)-4-thiophen-2-ylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 118445859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).