2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione

C37H32FN9O6 — CID 155281348

About 2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione (PubChem CID 155281348) has the molecular formula C37H32FN9O6 and a molecular weight of 717.72 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione
• PubChem CID: 155281348
• Molecular Formula: C37H32FN9O6
• Molecular Weight: 717.72 g/mol
• Exact Mass: 717.25
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione
• SMILES: COc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(N4CCN(C(=O)CNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)c2n1
• InChI: InChI=1S/C37H32FN9O6/c1-53-27-7-3-5-23(38)31(27)34-40-18-25-33(42-34)32(44-43-25)20-8-10-21(11-9-20)45-14-16-46(17-15-45)29(49)19-39-24-6-2-4-22-30(24)37(52)47(36(22)51)26-12-13-28(48)41-35(26)50/h2-11,18,26,39H,12-17,19H2,1H3,(H,43,44)(H,41,48,50)
• InChIKey: RKAKIKCSAOMNLJ-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 182.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.72
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione (CID 155281348) is 2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione is COc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(N4CCN(C(=O)CNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)c2n1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione?

The InChIKey is RKAKIKCSAOMNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32FN9O6/c1-53-27-7-3-5-23(38)31(27)34-40-18-25-33(42-34)32(44-43-25)20-8-10-21(11-9-20)45-14-16-46(17-15-45)29(49)19-39-24-6-2-4-22-30(24)37(52)47(36(22)51)26-12-13-28(48)41-35(26)50/h2-11,18,26,39H,12-17,19H2,1H3,(H,43,44)(H,41,48,50).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione has a molecular weight of 717.72 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione is sourced from PubChem (CID 155281348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).