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

C21H19N3O2 — CID 175796673

IUPAC5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNC(=O)c1ccc2c(c1)CCC([C@H]1c3ccccc3-c3cncn31)C2O
InChIInChI=1S/C21H19N3O2/c22-21(26)13-6-7-14-12(9-13)5-8-17(20(14)25)19-16-4-2-1-3-15(16)18-10-23-11-24(18)19/h1-4,6-7,9-11,17,19-20,25H,5,8H2,(H2,22,26)/t17?,19-,20?/m1/s1
InChIKeyPXMUGCCFFMBWHV-SKINQDTJSA-N
MW345.40 g/mol
LogP2.85
Rot. Bonds2

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

5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 175796673) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID175796673
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNC(=O)c1ccc2c(c1)CCC([C@H]1c3ccccc3-c3cncn31)C2O
InChIInChI=1S/C21H19N3O2/c22-21(26)13-6-7-14-12(9-13)5-8-17(20(14)25)19-16-4-2-1-3-15(16)18-10-23-11-24(18)19/h1-4,6-7,9-11,17,19-20,25H,5,8H2,(H2,22,26)/t17?,19-,20?/m1/s1
InChIKeyPXMUGCCFFMBWHV-SKINQDTJSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 175796673) is 5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is NC(=O)c1ccc2c(c1)CCC([C@H]1c3ccccc3-c3cncn31)C2O.
What is the InChIKey of 5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is PXMUGCCFFMBWHV-SKINQDTJSA-N. The full InChI is InChI=1S/C21H19N3O2/c22-21(26)13-6-7-14-12(9-13)5-8-17(20(14)25)19-16-4-2-1-3-15(16)18-10-23-11-24(18)19/h1-4,6-7,9-11,17,19-20,25H,5,8H2,(H2,22,26)/t17?,19-,20?/m1/s1.
What are the key properties of 5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
5-hydroxy-6-[(5S)-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 5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 175796673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).