2-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl formate

C24H24N4O5 — CID 170161420

IUPAC2-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl formate
SMILESCc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc2c1CCN2CCOC=O
InChIInChI=1S/C24H24N4O5/c1-14-10-19(25-22-17(14)6-7-27(22)8-9-33-13-29)15-2-3-18-16(11-15)12-28(24(18)32)20-4-5-21(30)26-23(20)31/h2-3,10-11,13,20H,4-9,12H2,1H3,(H,26,30,31)
InChIKeyAREZTBHWWYNHAP-UHFFFAOYSA-N
MW448.48 g/mol
LogP1.35
Rot. Bonds6

About 2-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl formate

2-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl formate (PubChem CID 170161420) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl formate.

Molecular Properties

Compound Name2-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl formate
PubChem CID170161420
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name2-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl formate
SMILESCc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc2c1CCN2CCOC=O
InChIInChI=1S/C24H24N4O5/c1-14-10-19(25-22-17(14)6-7-27(22)8-9-33-13-29)15-2-3-18-16(11-15)12-28(24(18)32)20-4-5-21(30)26-23(20)31/h2-3,10-11,13,20H,4-9,12H2,1H3,(H,26,30,31)
InChIKeyAREZTBHWWYNHAP-UHFFFAOYSA-N
XLogP1.35
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl formate with MolForge

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Related Compounds

3-[6-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744
3-[6-[2-(2-fluoro-4-methylphenyl)-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075108
3-[6-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577605
3-[3-oxo-6-[1-propan-2-yl-7-(pyrrolidin-1-ylmethyl)pyrrolo[3,2-b]pyridin-5-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169206282
3-[6-[1-methyl-2-(1,3-thiazol-4-yl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075983
3-[6-[1-methyl-2-(4-methylcyclohexyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577588
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
3-[3-oxo-6-[1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169206296
methyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methylpyridine-3-carboxylate
CID 167906136
3-[6-[2-(2-fluorophenyl)-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075791
3-[6-[2-(1H-indol-5-yl)-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177240855
2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-methylimidazol-2-yl]benzonitrile
CID 171577475

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl formate?
The IUPAC name of 2-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl formate (CID 170161420) is 2-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl formate.
What is the SMILES notation for 2-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl formate?
The canonical SMILES for 2-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl formate is Cc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc2c1CCN2CCOC=O.
What is the InChIKey of 2-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl formate?
The InChIKey is AREZTBHWWYNHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-14-10-19(25-22-17(14)6-7-27(22)8-9-33-13-29)15-2-3-18-16(11-15)12-28(24(18)32)20-4-5-21(30)26-23(20)31/h2-3,10-11,13,20H,4-9,12H2,1H3,(H,26,30,31).
What are the key properties of 2-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl formate?
2-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl formate has a molecular weight of 448.48 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl formate is sourced from PubChem (CID 170161420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).