(3S)-3-[(2-oxo-2-pyrazolo[1,5-a]pyridin-3-ylethyl)amino]piperidine-2,6-dione

C14H14N4O3 — CID 154967477

IUPAC(3S)-3-[(2-oxo-2-pyrazolo[1,5-a]pyridin-3-ylethyl)amino]piperidine-2,6-dione
SMILESO=C1CC[C@H](NCC(=O)c2cnn3ccccc23)C(=O)N1
InChIInChI=1S/C14H14N4O3/c19-12(8-15-10-4-5-13(20)17-14(10)21)9-7-16-18-6-2-1-3-11(9)18/h1-3,6-7,10,15H,4-5,8H2,(H,17,20,21)/t10-/m0/s1
InChIKeyTWWGPTLUULGYLP-JTQLQIEISA-N
MW286.29 g/mol
LogP-0.09
Rot. Bonds4

About (3S)-3-[(2-oxo-2-pyrazolo[1,5-a]pyridin-3-ylethyl)amino]piperidine-2,6-dione

(3S)-3-[(2-oxo-2-pyrazolo[1,5-a]pyridin-3-ylethyl)amino]piperidine-2,6-dione (PubChem CID 154967477) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is (3S)-3-[(2-oxo-2-pyrazolo[1,5-a]pyridin-3-ylethyl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[(2-oxo-2-pyrazolo[1,5-a]pyridin-3-ylethyl)amino]piperidine-2,6-dione
PubChem CID154967477
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name(3S)-3-[(2-oxo-2-pyrazolo[1,5-a]pyridin-3-ylethyl)amino]piperidine-2,6-dione
SMILESO=C1CC[C@H](NCC(=O)c2cnn3ccccc23)C(=O)N1
InChIInChI=1S/C14H14N4O3/c19-12(8-15-10-4-5-13(20)17-14(10)21)9-7-16-18-6-2-1-3-11(9)18/h1-3,6-7,10,15H,4-5,8H2,(H,17,20,21)/t10-/m0/s1
InChIKeyTWWGPTLUULGYLP-JTQLQIEISA-N
XLogP-0.09
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-oxo-2-pyrazolo[1,5-a]pyridin-3-ylethyl)amino]piperidine-2,6-dione?
The IUPAC name of (3S)-3-[(2-oxo-2-pyrazolo[1,5-a]pyridin-3-ylethyl)amino]piperidine-2,6-dione (CID 154967477) is (3S)-3-[(2-oxo-2-pyrazolo[1,5-a]pyridin-3-ylethyl)amino]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[(2-oxo-2-pyrazolo[1,5-a]pyridin-3-ylethyl)amino]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-[(2-oxo-2-pyrazolo[1,5-a]pyridin-3-ylethyl)amino]piperidine-2,6-dione is O=C1CC[C@H](NCC(=O)c2cnn3ccccc23)C(=O)N1.
What is the InChIKey of (3S)-3-[(2-oxo-2-pyrazolo[1,5-a]pyridin-3-ylethyl)amino]piperidine-2,6-dione?
The InChIKey is TWWGPTLUULGYLP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14N4O3/c19-12(8-15-10-4-5-13(20)17-14(10)21)9-7-16-18-6-2-1-3-11(9)18/h1-3,6-7,10,15H,4-5,8H2,(H,17,20,21)/t10-/m0/s1.
What are the key properties of (3S)-3-[(2-oxo-2-pyrazolo[1,5-a]pyridin-3-ylethyl)amino]piperidine-2,6-dione?
(3S)-3-[(2-oxo-2-pyrazolo[1,5-a]pyridin-3-ylethyl)amino]piperidine-2,6-dione has a molecular weight of 286.29 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-oxo-2-pyrazolo[1,5-a]pyridin-3-ylethyl)amino]piperidine-2,6-dione is sourced from PubChem (CID 154967477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).