3-[5-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C21H21N5O3 — CID 167735356

IUPAC3-[5-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CN4CCNc5cccnc54)cc3C2=O)C(=O)N1
InChIInChI=1S/C21H21N5O3/c27-18-6-5-17(20(28)24-18)26-12-14-4-3-13(10-15(14)21(26)29)11-25-9-8-22-16-2-1-7-23-19(16)25/h1-4,7,10,17,22H,5-6,8-9,11-12H2,(H,24,27,28)
InChIKeyTZGUWCJXFQXLAW-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.27
Rot. Bonds3

About 3-[5-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167735356) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-[5-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167735356
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name3-[5-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CN4CCNc5cccnc54)cc3C2=O)C(=O)N1
InChIInChI=1S/C21H21N5O3/c27-18-6-5-17(20(28)24-18)26-12-14-4-3-13(10-15(14)21(26)29)11-25-9-8-22-16-2-1-7-23-19(16)25/h1-4,7,10,17,22H,5-6,8-9,11-12H2,(H,24,27,28)
InChIKeyTZGUWCJXFQXLAW-UHFFFAOYSA-N
XLogP1.27
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118647025
3-[3-oxo-5-[(3-pyridin-3-ylpiperazin-1-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717903
3-[5-[(3-aminoazetidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734218
3-[5-(1,7-diazaspiro[3.4]octan-7-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715100
3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163614917
(3R)-3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 174302674
3-[5-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733099
3-[5-[[2-(2-methylpyrazol-3-yl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736568
3-[5-[[1-(aminomethyl)-4-methyl-2-azabicyclo[2.1.1]hexan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716491
3-[5-[(2-cyclopropylpiperazin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732199
3-[5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735599
3-[5-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167729954

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167735356) is 3-[5-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3ccc(CN4CCNc5cccnc54)cc3C2=O)C(=O)N1.
What is the InChIKey of 3-[5-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is TZGUWCJXFQXLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-18-6-5-17(20(28)24-18)26-12-14-4-3-13(10-15(14)21(26)29)11-25-9-8-22-16-2-1-7-23-19(16)25/h1-4,7,10,17,22H,5-6,8-9,11-12H2,(H,24,27,28).
What are the key properties of 3-[5-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 391.43 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167735356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).