tert-butyl 3-(2,6-dioxopiperidin-3-yl)oxy-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate

C17H21N3O5 — CID 146573386

IUPACtert-butyl 3-(2,6-dioxopiperidin-3-yl)oxy-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2cc(OC3CCC(=O)NC3=O)cnc2C1
InChIInChI=1S/C17H21N3O5/c1-17(2,3)25-16(23)20-8-10-6-11(7-18-12(10)9-20)24-13-4-5-14(21)19-15(13)22/h6-7,13H,4-5,8-9H2,1-3H3,(H,19,21,22)
InChIKeyGRVNDNPWVROMLS-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.52
Rot. Bonds2

About tert-butyl 3-(2,6-dioxopiperidin-3-yl)oxy-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate

tert-butyl 3-(2,6-dioxopiperidin-3-yl)oxy-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate (PubChem CID 146573386) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is tert-butyl 3-(2,6-dioxopiperidin-3-yl)oxy-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,6-dioxopiperidin-3-yl)oxy-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
PubChem CID146573386
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Nametert-butyl 3-(2,6-dioxopiperidin-3-yl)oxy-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2cc(OC3CCC(=O)NC3=O)cnc2C1
InChIInChI=1S/C17H21N3O5/c1-17(2,3)25-16(23)20-8-10-6-11(7-18-12(10)9-20)24-13-4-5-14(21)19-15(13)22/h6-7,13H,4-5,8-9H2,1-3H3,(H,19,21,22)
InChIKeyGRVNDNPWVROMLS-UHFFFAOYSA-N
XLogP1.52
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 3-(2,6-dioxopiperidin-3-yl)oxy-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate with MolForge

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Related Compounds

6-O-tert-butyl 3-O-methyl 5,7-dihydropyrrolo[3,4-b]pyridine-3,6-dicarboxylate
CID 71433196
tert-butyl 3-nitro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 25260226
tert-butyl 3-amino-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-bromo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 159373493
tert-butyl 2-[[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]methyl]piperidine-1-carboxylate
CID 166472074
tert-butyl 7-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166113222
tert-butyl 4-[5-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]piperidine-1-carboxylate
CID 174216398
tert-butyl 4-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperazine-1-carboxylate
CID 166117069
tert-butyl 4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 146523656
tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 166113298
7-O-tert-butyl 3-O-methyl 6,8-dihydro-5H-1,7-naphthyridine-3,7-dicarboxylate
CID 53446461
tert-butyl 2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 59569432
tert-butyl 1-cyclopropyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 90426967

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,6-dioxopiperidin-3-yl)oxy-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 3-(2,6-dioxopiperidin-3-yl)oxy-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate (CID 146573386) is tert-butyl 3-(2,6-dioxopiperidin-3-yl)oxy-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,6-dioxopiperidin-3-yl)oxy-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 3-(2,6-dioxopiperidin-3-yl)oxy-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate is CC(C)(C)OC(=O)N1Cc2cc(OC3CCC(=O)NC3=O)cnc2C1.
What is the InChIKey of tert-butyl 3-(2,6-dioxopiperidin-3-yl)oxy-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate?
The InChIKey is GRVNDNPWVROMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-17(2,3)25-16(23)20-8-10-6-11(7-18-12(10)9-20)24-13-4-5-14(21)19-15(13)22/h6-7,13H,4-5,8-9H2,1-3H3,(H,19,21,22).
What are the key properties of tert-butyl 3-(2,6-dioxopiperidin-3-yl)oxy-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate?
tert-butyl 3-(2,6-dioxopiperidin-3-yl)oxy-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,6-dioxopiperidin-3-yl)oxy-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 146573386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).