1-[3-(7-fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol

C17H13FN2OS — CID 123310443

IUPAC1-[3-(7-fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol
SMILESCC(O)c1nc(-c2csc3c(F)cccc23)n2ccccc12
InChIInChI=1S/C17H13FN2OS/c1-10(21)15-14-7-2-3-8-20(14)17(19-15)12-9-22-16-11(12)5-4-6-13(16)18/h2-10,21H,1H3
InChIKeyKJYUBJSDQNBTSG-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.41
Rot. Bonds2

About 1-[3-(7-fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol

1-[3-(7-fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol (PubChem CID 123310443) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[3-(7-fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol.

Molecular Properties

Compound Name1-[3-(7-fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol
PubChem CID123310443
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name1-[3-(7-fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol
SMILESCC(O)c1nc(-c2csc3c(F)cccc23)n2ccccc12
InChIInChI=1S/C17H13FN2OS/c1-10(21)15-14-7-2-3-8-20(14)17(19-15)12-9-22-16-11(12)5-4-6-13(16)18/h2-10,21H,1H3
InChIKeyKJYUBJSDQNBTSG-UHFFFAOYSA-N
XLogP4.41
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-[5-(Hydroxymethyl)thiophen-2-yl]imidazo[1,5-a]pyridin-1-yl]phenyl]methanol
CID 134132602
[5-(1-Phenylimidazo[1,5-a]pyridin-3-yl)thiophen-2-yl]methanol
CID 134142080
[5-(1-Pyridin-4-ylimidazo[1,5-a]pyridin-3-yl)thiophen-2-yl]methanol
CID 134149171
[4-(6-Thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
CID 155538840
[4-(6-Thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
CID 155554723
(1-Methylimidazol-2-yl)-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]methanol
CID 46961134
(1-Methylimidazol-2-yl)-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]methanol
CID 110220704
[9-(Thiophen-2-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
CID 127028806
[9-(Thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
CID 127028807
[4-(3-Thiophen-2-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanol
CID 117769565
[3-(6-Thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
CID 117769591
[4-[3-(3-Thienyl)imidazo [1,2-a]pyrazin-6-yl]phenyl] methanol
CID 126673074

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol?
The IUPAC name of 1-[3-(7-fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol (CID 123310443) is 1-[3-(7-fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol.
What is the SMILES notation for 1-[3-(7-fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol?
The canonical SMILES for 1-[3-(7-fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol is CC(O)c1nc(-c2csc3c(F)cccc23)n2ccccc12.
What is the InChIKey of 1-[3-(7-fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol?
The InChIKey is KJYUBJSDQNBTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c1-10(21)15-14-7-2-3-8-20(14)17(19-15)12-9-22-16-11(12)5-4-6-13(16)18/h2-10,21H,1H3.
What are the key properties of 1-[3-(7-fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol?
1-[3-(7-fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol has a molecular weight of 312.37 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-fluoro-1-benzothiophen-3-yl)imidazo[1,5-a]pyridin-1-yl]ethanol is sourced from PubChem (CID 123310443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).