2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-3-ylethanol

C17H15N3O — CID 66558723

IUPAC2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-3-ylethanol
SMILESOC(CC1c2ccccc2-c2cncn21)c1cccnc1
InChIInChI=1S/C17H15N3O/c21-17(12-4-3-7-18-9-12)8-15-13-5-1-2-6-14(13)16-10-19-11-20(15)16/h1-7,9-11,15,17,21H,8H2
InChIKeyJNVJGLYGJXLWMV-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.97
Rot. Bonds3

About 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-3-ylethanol

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-3-ylethanol (PubChem CID 66558723) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-3-ylethanol
PubChem CID66558723
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-3-ylethanol
SMILESOC(CC1c2ccccc2-c2cncn21)c1cccnc1
InChIInChI=1S/C17H15N3O/c21-17(12-4-3-7-18-9-12)8-15-13-5-1-2-6-14(13)16-10-19-11-20(15)16/h1-7,9-11,15,17,21H,8H2
InChIKeyJNVJGLYGJXLWMV-UHFFFAOYSA-N
XLogP2.97
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-4-((1R)-2-((5S)-6-Fluoro-5H-imidazo(5,1-a)isoindol-5-yl)-1-hydroxyethyl)cyclohexanol
CID 70914230
Nlg919
CID 66558287
(1~{r})-1-Cyclohexyl-2-[(5~{s})-5~{h}-Imidazo[1,5-B]isoindol-5-Yl]ethanol
CID 70874783
1-cyclohexyl-2-(4H-imidazo[1,5-a]indol-4-yl)ethanol
CID 78426054
4-(1,1-Difluoro-2-[6-fluoro-5H-imidazo[4,3-a]isoindol-5-yl]ethyl)cyclohexan-1-ol
CID 118917109
1-Cyclohexyl-2-(10-fluoro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol
CID 118917121
1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol
CID 129282689
5-(p-Hydroxymethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 13688218
(S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-(pyridin-3-yl)ethanol
CID 45486477
2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 66558199
US10233190, Example 1385
CID 66558379
(1S)-1-cyclohexyl-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 66558554

Frequently Asked Questions

What is the IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-3-ylethanol?
The IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-3-ylethanol (CID 66558723) is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-3-ylethanol?
The canonical SMILES for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-3-ylethanol is OC(CC1c2ccccc2-c2cncn21)c1cccnc1.
What is the InChIKey of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-3-ylethanol?
The InChIKey is JNVJGLYGJXLWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17(12-4-3-7-18-9-12)8-15-13-5-1-2-6-14(13)16-10-19-11-20(15)16/h1-7,9-11,15,17,21H,8H2.
What are the key properties of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-3-ylethanol?
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-3-ylethanol has a molecular weight of 277.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-pyridin-3-ylethanol is sourced from PubChem (CID 66558723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).