3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione

C19H15N5O3 — CID 177240699

IUPAC3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4cnc5[nH]ncc5c4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C19H15N5O3/c25-16-4-3-15(18(26)22-16)24-9-13-5-10(1-2-14(13)19(24)27)11-6-12-8-21-23-17(12)20-7-11/h1-2,5-8,15H,3-4,9H2,(H,20,21,23)(H,22,25,26)
InChIKeyJBCVEPPOMUVSTJ-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.39
Rot. Bonds2

About 3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 177240699) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID177240699
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4cnc5[nH]ncc5c4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C19H15N5O3/c25-16-4-3-15(18(26)22-16)24-9-13-5-10(1-2-14(13)19(24)27)11-6-12-8-21-23-17(12)20-7-11/h1-2,5-8,15H,3-4,9H2,(H,20,21,23)(H,22,25,26)
InChIKeyJBCVEPPOMUVSTJ-UHFFFAOYSA-N
XLogP1.39
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-[6-(1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156867503
3-(6-isoquinolin-4-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167832472
3-[6-(4-methoxy-1H-indazol-6-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166427060
3-[6-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744
3-[6-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167935400
3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167929770
3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723774
3-[6-(5-cyclopropyl-1-methylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075201
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167854838
(3S)-3-[6-[5-(6-amino-3-pyridinyl)-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577719
3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166173886

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione (CID 177240699) is 3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(-c4cnc5[nH]ncc5c4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is JBCVEPPOMUVSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c25-16-4-3-15(18(26)22-16)24-9-13-5-10(1-2-14(13)19(24)27)11-6-12-8-21-23-17(12)20-7-11/h1-2,5-8,15H,3-4,9H2,(H,20,21,23)(H,22,25,26).
What are the key properties of 3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 361.36 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 177240699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).