3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride

C17H21ClN4O3 — CID 155923300

IUPAC3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride
SMILESCl.O=C1CCC(N2Cc3cc(C4CCNCC4)cnc3C2=O)C(=O)N1
InChIInChI=1S/C17H20N4O3.ClH/c22-14-2-1-13(16(23)20-14)21-9-12-7-11(8-19-15(12)17(21)24)10-3-5-18-6-4-10;/h7-8,10,13,18H,1-6,9H2,(H,20,22,23);1H
InChIKeyKKTDTJQTFJJGCT-UHFFFAOYSA-N
MW364.83 g/mol
LogP0.73
Rot. Bonds2

About 3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride

3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride (PubChem CID 155923300) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride
PubChem CID155923300
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride
SMILESCl.O=C1CCC(N2Cc3cc(C4CCNCC4)cnc3C2=O)C(=O)N1
InChIInChI=1S/C17H20N4O3.ClH/c22-14-2-1-13(16(23)20-14)21-9-12-7-11(8-19-15(12)17(21)24)10-3-5-18-6-4-10;/h7-8,10,13,18H,1-6,9H2,(H,20,22,23);1H
InChIKeyKKTDTJQTFJJGCT-UHFFFAOYSA-N
XLogP0.73
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

3-(5-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 156787370
3-[3-oxo-6-[1-(piperidine-4-carbonyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 172590709
3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 167293608
3-(4-bromo-6-cyclopropyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342291
3-[6-(7-azaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178161571
3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134413864
3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione
CID 155219572
(3S)-3-(3-oxo-5,6,7,8-tetrahydro-1H-pyrrolo[3,4-g]isoquinolin-2-yl)piperidine-2,6-dione
CID 164919945
3-[3-oxo-6-[(2S)-piperidin-2-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171545886
3-(5-fluoro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 155229339
3-[3-oxo-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167738643
3-[6-(cyclohexylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-6-(piperidin-4-ylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 161477163

Frequently Asked Questions

What is the IUPAC name of 3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride?
The IUPAC name of 3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride (CID 155923300) is 3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride?
The canonical SMILES for 3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride is Cl.O=C1CCC(N2Cc3cc(C4CCNCC4)cnc3C2=O)C(=O)N1.
What is the InChIKey of 3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride?
The InChIKey is KKTDTJQTFJJGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3.ClH/c22-14-2-1-13(16(23)20-14)21-9-12-7-11(8-19-15(12)17(21)24)10-3-5-18-6-4-10;/h7-8,10,13,18H,1-6,9H2,(H,20,22,23);1H.
What are the key properties of 3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride?
3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride has a molecular weight of 364.83 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 155923300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).