3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione

C20H22N6O4 — CID 167722358

IUPAC3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(CNc4nnc(C5CCNC5)o4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C20H22N6O4/c27-16-5-4-15(17(28)23-16)26-10-14-11(2-1-3-13(14)19(26)29)9-22-20-25-24-18(30-20)12-6-7-21-8-12/h1-3,12,15,21H,4-10H2,(H,22,25)(H,23,27,28)
InChIKeyNNGRIDRUZPOBFP-UHFFFAOYSA-N
MW410.43 g/mol
LogP0.52
Rot. Bonds5

About 3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167722358) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167722358
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(CNc4nnc(C5CCNC5)o4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C20H22N6O4/c27-16-5-4-15(17(28)23-16)26-10-14-11(2-1-3-13(14)19(26)29)9-22-20-25-24-18(30-20)12-6-7-21-8-12/h1-3,12,15,21H,4-10H2,(H,22,25)(H,23,27,28)
InChIKeyNNGRIDRUZPOBFP-UHFFFAOYSA-N
XLogP0.52
TPSA129.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[3-oxo-4-[[(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167738088
2-(2,6-dioxopiperidin-3-yl)-4-[[(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)amino]methyl]isoindole-1,3-dione
CID 167720947
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-[3-oxo-7-[[[(3S)-piperidin-3-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741137
3-[7-[[(4-methylpiperidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714315
3-[3-oxo-7-[[(3-piperidin-4-yl-1,2-oxazol-5-yl)methylamino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167731607
3-[7-[[methyl(pyrrolidin-3-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167726173
3-[7-[[[(4S,6S)-6-hydroxyazepan-4-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167726194
3-[7-[(3-azabicyclo[3.2.1]octan-1-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735173
3-[7-[[4-(azetidin-3-yloxy)anilino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167718423
3-[7-[(azepan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716749
3-[7-[[(3,3-difluoropiperidin-4-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725478

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167722358) is 3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(CNc4nnc(C5CCNC5)o4)cccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is NNGRIDRUZPOBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4/c27-16-5-4-15(17(28)23-16)26-10-14-11(2-1-3-13(14)19(26)29)9-22-20-25-24-18(30-20)12-6-7-21-8-12/h1-3,12,15,21H,4-10H2,(H,22,25)(H,23,27,28).
What are the key properties of 3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 410.43 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-7-[[(5-pyrrolidin-3-yl-1,3,4-oxadiazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167722358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).