N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide

C27H23N5O4 — CID 177144099

IUPACN-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C1CCC(N2Cc3cc(-c4nc5ccccn5c4NC(=O)c4ccccc4)ccc3C2O)C(=O)N1
InChIInChI=1S/C27H23N5O4/c33-22-12-11-20(26(35)29-22)32-15-18-14-17(9-10-19(18)27(32)36)23-24(31-13-5-4-8-21(31)28-23)30-25(34)16-6-2-1-3-7-16/h1-10,13-14,20,27,36H,11-12,15H2,(H,30,34)(H,29,33,35)
InChIKeyXFGKTTCZEHBKFT-UHFFFAOYSA-N
MW481.51 g/mol
LogP2.87
Rot. Bonds4

About N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide

N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 177144099) has the molecular formula C27H23N5O4 and a molecular weight of 481.51 g/mol. Its IUPAC name is N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID177144099
Molecular FormulaC27H23N5O4
Molecular Weight481.51 g/mol
Exact Mass481.18
IUPAC NameN-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C1CCC(N2Cc3cc(-c4nc5ccccn5c4NC(=O)c4ccccc4)ccc3C2O)C(=O)N1
InChIInChI=1S/C27H23N5O4/c33-22-12-11-20(26(35)29-22)32-15-18-14-17(9-10-19(18)27(32)36)23-24(31-13-5-4-8-21(31)28-23)30-25(34)16-6-2-1-3-7-16/h1-10,13-14,20,27,36H,11-12,15H2,(H,30,34)(H,29,33,35)
InChIKeyXFGKTTCZEHBKFT-UHFFFAOYSA-N
XLogP2.87
TPSA116.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
CID 177144047
3-[6-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177144092
3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 152965133
3-bromo-N-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 4519965
4-chloro-N-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 3452000
3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170564498
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-4-pyrazol-1-ylbenzamide
CID 86907223
N-[1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindole-5-carboxamide
CID 155350220
3-[5-[5-[4-[(dimethylamino)methyl]phenyl]-1-methylpyrazol-4-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 174283412
N-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]-3-propyl-1H-indole-2-carboxamide
CID 177188179
3-[1-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 167239354
4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694194

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide (CID 177144099) is N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide is O=C1CCC(N2Cc3cc(-c4nc5ccccn5c4NC(=O)c4ccccc4)ccc3C2O)C(=O)N1.
What is the InChIKey of N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is XFGKTTCZEHBKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O4/c33-22-12-11-20(26(35)29-22)32-15-18-14-17(9-10-19(18)27(32)36)23-24(31-13-5-4-8-21(31)28-23)30-25(34)16-6-2-1-3-7-16/h1-10,13-14,20,27,36H,11-12,15H2,(H,30,34)(H,29,33,35).
What are the key properties of N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide?
N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 481.51 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 177144099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).