(7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol

C19H16FN3O — CID 137405900

IUPAC(7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol
SMILESO[C@@H]1c2cnccc2CC[C@H]1C1c2ccc(F)cc2-c2cncn21
InChIInChI=1S/C19H16FN3O/c20-12-2-4-13-15(7-12)17-9-22-10-23(17)18(13)14-3-1-11-5-6-21-8-16(11)19(14)24/h2,4-10,14,18-19,24H,1,3H2/t14-,18?,19-/m0/s1
InChIKeyXJHUIMBNQTZGEM-CJESRSHOSA-N
MW321.36 g/mol
LogP3.28
Rot. Bonds1

About (7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol

(7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol (PubChem CID 137405900) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is (7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol.

Molecular Properties

Compound Name(7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol
PubChem CID137405900
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name(7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol
SMILESO[C@@H]1c2cnccc2CC[C@H]1C1c2ccc(F)cc2-c2cncn21
InChIInChI=1S/C19H16FN3O/c20-12-2-4-13-15(7-12)17-9-22-10-23(17)18(13)14-3-1-11-5-6-21-8-16(11)19(14)24/h2,4-10,14,18-19,24H,1,3H2/t14-,18?,19-/m0/s1
InChIKeyXJHUIMBNQTZGEM-CJESRSHOSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroisoquinolin-8-ol
CID 129283762
2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol
CID 129282641
(1S,2S)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129282975
(5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol
CID 129296383
(5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol
CID 137405791
(3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol
CID 137405934
(2S,3S)-2-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-7-oxaspiro[3.5]nonan-3-ol
CID 129296931
(8S)-8-hydroxy-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 175796747
(5S,6S)-5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5R,6S)-5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S,6S)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S,6R)-5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5R,6S)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 162241832
(7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 129283109
(1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol;(1R,2R)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 159984878
(7R,8R)-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinolin-8-ol
CID 129283070

Frequently Asked Questions

What is the IUPAC name of (7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol?
The IUPAC name of (7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol (CID 137405900) is (7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol.
What is the SMILES notation for (7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol?
The canonical SMILES for (7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol is O[C@@H]1c2cnccc2CC[C@H]1C1c2ccc(F)cc2-c2cncn21.
What is the InChIKey of (7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol?
The InChIKey is XJHUIMBNQTZGEM-CJESRSHOSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-12-2-4-13-15(7-12)17-9-22-10-23(17)18(13)14-3-1-11-5-6-21-8-16(11)19(14)24/h2,4-10,14,18-19,24H,1,3H2/t14-,18?,19-/m0/s1.
What are the key properties of (7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol?
(7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol has a molecular weight of 321.36 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol is sourced from PubChem (CID 137405900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).