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

C19H17N3O — CID 137405791

IUPAC(5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol
SMILESO[C@@H]1c2ccncc2CC[C@@H]1C1c2ccccc2-c2cncn21
InChIInChI=1S/C19H17N3O/c23-19-13-7-8-20-9-12(13)5-6-16(19)18-15-4-2-1-3-14(15)17-10-21-11-22(17)18/h1-4,7-11,16,18-19,23H,5-6H2/t16-,18?,19-/m1/s1
InChIKeySXSSPSBEERTCTN-LPZUGFHBSA-N
MW303.37 g/mol
LogP3.14
Rot. Bonds1

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

(5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol (PubChem CID 137405791) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol.

Molecular Properties

Compound Name(5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol
PubChem CID137405791
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol
SMILESO[C@@H]1c2ccncc2CC[C@@H]1C1c2ccccc2-c2cncn21
InChIInChI=1S/C19H17N3O/c23-19-13-7-8-20-9-12(13)5-6-16(19)18-15-4-2-1-3-14(15)17-10-21-11-22(17)18/h1-4,7-11,16,18-19,23H,5-6H2/t16-,18?,19-/m1/s1
InChIKeySXSSPSBEERTCTN-LPZUGFHBSA-N
XLogP3.14
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol
CID 129296383
(1S,2S)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129282975
(7S,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroisoquinolin-8-ol
CID 129283762
7-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinolin-8-ol
CID 129296165
(7R,8S)-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinolin-8-ol
CID 129296780
(7R,8R)-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinolin-8-ol
CID 129283070
(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
(5S,6S)-5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 129283232
5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 175796673
(6S,7R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-7-ol
CID 129282886
2-(5H-imidazo[5,1-a]isoindol-5-yl)-6-methylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337867
(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

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol?
The IUPAC name of (5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol (CID 137405791) is (5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol.
What is the SMILES notation for (5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol?
The canonical SMILES for (5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol is O[C@@H]1c2ccncc2CC[C@@H]1C1c2ccccc2-c2cncn21.
What is the InChIKey of (5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol?
The InChIKey is SXSSPSBEERTCTN-LPZUGFHBSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19-13-7-8-20-9-12(13)5-6-16(19)18-15-4-2-1-3-14(15)17-10-21-11-22(17)18/h1-4,7-11,16,18-19,23H,5-6H2/t16-,18?,19-/m1/s1.
What are the key properties of (5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol?
(5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol has a molecular weight of 303.37 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-5-ol is sourced from PubChem (CID 137405791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).