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

C27H29N5O4 — CID 177144047

IUPACN-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
SMILESO=C1CCC(N2Cc3cc(-c4nc5ccccn5c4NC(=O)C4CCCCC4)ccc3C2O)C(=O)N1
InChIInChI=1S/C27H29N5O4/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/h4-5,8-10,13-14,16,20,27,36H,1-3,6-7,11-12,15H2,(H,30,34)(H,29,33,35)
InChIKeyKZGTYSIHCFUQFU-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.13
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]cyclohexanecarboxamide

N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide (PubChem CID 177144047) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 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]cyclohexanecarboxamide.

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]cyclohexanecarboxamide
PubChem CID177144047
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC NameN-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
SMILESO=C1CCC(N2Cc3cc(-c4nc5ccccn5c4NC(=O)C4CCCCC4)ccc3C2O)C(=O)N1
InChIInChI=1S/C27H29N5O4/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/h4-5,8-10,13-14,16,20,27,36H,1-3,6-7,11-12,15H2,(H,30,34)(H,29,33,35)
InChIKeyKZGTYSIHCFUQFU-UHFFFAOYSA-N
XLogP3.13
TPSA116.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.13
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]benzamide
CID 177144099
N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
CID 42693768
N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
CID 42694066
N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
CID 42694204
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
CID 42693744
N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
CID 42694207
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
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohexanecarboxamide
CID 40656282
3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170564498
3-[5-[5-[4-[(dimethylamino)methyl]phenyl]-1-methylpyrazol-4-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 174283412
3-[1-hydroxy-5-(1-propan-2-ylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 167239354

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]cyclohexanecarboxamide?
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]cyclohexanecarboxamide (CID 177144047) is N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide.
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]cyclohexanecarboxamide?
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]cyclohexanecarboxamide 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]cyclohexanecarboxamide?
The InChIKey is KZGTYSIHCFUQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/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/h4-5,8-10,13-14,16,20,27,36H,1-3,6-7,11-12,15H2,(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]cyclohexanecarboxamide?
N-[2-[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-5-yl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide has a molecular weight of 487.56 g/mol, XLogP of 3.13, 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]cyclohexanecarboxamide is sourced from PubChem (CID 177144047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).