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

C22H21N5O3 — CID 177241243

IUPAC3-[3-oxo-6-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)n1nc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c2cccnc21
InChIInChI=1S/C22H21N5O3/c1-12(2)27-20-16(4-3-9-23-20)19(25-27)13-5-6-15-14(10-13)11-26(22(15)30)17-7-8-18(28)24-21(17)29/h3-6,9-10,12,17H,7-8,11H2,1-2H3,(H,24,28,29)
InChIKeyDFDNYLXRRKAOSG-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.44
Rot. Bonds3

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

3-[3-oxo-6-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 177241243) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 3-[3-oxo-6-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID177241243
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name3-[3-oxo-6-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)n1nc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c2cccnc21
InChIInChI=1S/C22H21N5O3/c1-12(2)27-20-16(4-3-9-23-20)19(25-27)13-5-6-15-14(10-13)11-26(22(15)30)17-7-8-18(28)24-21(17)29/h3-6,9-10,12,17H,7-8,11H2,1-2H3,(H,24,28,29)
InChIKeyDFDNYLXRRKAOSG-UHFFFAOYSA-N
XLogP2.44
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241381
3-[6-(1-methylindazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241260
3-[3-oxo-6-(2-propan-2-ylpyrazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166425756
(3S)-3-[6-(1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156867503
3-[6-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075168
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167929770
3-[6-[5-[4-(difluoromethyl)phenyl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075670
3-[6-[5-(2-fluorophenyl)-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577678
3-(6-isoquinolin-4-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167832472
3-[6-(1,5-dimethyl-4-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075260
3-[6-[5-(4-chloro-2-fluorophenyl)-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075955

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione (CID 177241243) is 3-[3-oxo-6-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione is CC(C)n1nc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c2cccnc21.
What is the InChIKey of 3-[3-oxo-6-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is DFDNYLXRRKAOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-12(2)27-20-16(4-3-9-23-20)19(25-27)13-5-6-15-14(10-13)11-26(22(15)30)17-7-8-18(28)24-21(17)29/h3-6,9-10,12,17H,7-8,11H2,1-2H3,(H,24,28,29).
What are the key properties of 3-[3-oxo-6-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-6-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 403.44 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-6-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 177241243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).