(7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C21H19N3O2 — CID 129283109

IUPAC(7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNC(=O)c1ccc2c(c1)[C@H](O)[C@H]([C@@H]1c3ccccc3-c3cncn31)CC2
InChIInChI=1S/C21H19N3O2/c22-21(26)13-6-5-12-7-8-16(20(25)17(12)9-13)19-15-4-2-1-3-14(15)18-10-23-11-24(18)19/h1-6,9-11,16,19-20,25H,7-8H2,(H2,22,26)/t16-,19-,20+/m0/s1
InChIKeyPKOBZFUYVLILIU-FFZOFVMBSA-N
MW345.40 g/mol
LogP2.85
Rot. Bonds2

About (7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

(7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 129283109) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is (7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name(7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID129283109
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name(7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNC(=O)c1ccc2c(c1)[C@H](O)[C@H]([C@@H]1c3ccccc3-c3cncn31)CC2
InChIInChI=1S/C21H19N3O2/c22-21(26)13-6-5-12-7-8-16(20(25)17(12)9-13)19-15-4-2-1-3-14(15)18-10-23-11-24(18)19/h1-6,9-11,16,19-20,25H,7-8H2,(H2,22,26)/t16-,19-,20+/m0/s1
InChIKeyPKOBZFUYVLILIU-FFZOFVMBSA-N
XLogP2.85
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide 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

(8S)-8-hydroxy-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 175796747
5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 175796673
(1S,2S)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129282975
(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
(7S,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroisoquinolin-8-ol
CID 129283762
(5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 129283125
(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
(5S,6S)-5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 129283232
2-(5H-imidazo[5,1-a]isoindol-5-yl)-6-methylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337867
(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
(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,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of (7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 129283109) is (7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for (7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for (7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is NC(=O)c1ccc2c(c1)[C@H](O)[C@H]([C@@H]1c3ccccc3-c3cncn31)CC2.
What is the InChIKey of (7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is PKOBZFUYVLILIU-FFZOFVMBSA-N. The full InChI is InChI=1S/C21H19N3O2/c22-21(26)13-6-5-12-7-8-16(20(25)17(12)9-13)19-15-4-2-1-3-14(15)18-10-23-11-24(18)19/h1-6,9-11,16,19-20,25H,7-8H2,(H2,22,26)/t16-,19-,20+/m0/s1.
What are the key properties of (7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
(7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 129283109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).