2-(2,6-dioxopiperidin-3-yl)-5-[[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 155281237

About 2-(2,6-dioxopiperidin-3-yl)-5-[[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)-5-[[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 155281237) has the molecular formula C37H32FN9O6 and a molecular weight of 717.72 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[[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)-5-[[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: 155281237
• Molecular Formula: C37H32FN9O6
• Molecular Weight: 717.72 g/mol
• Exact Mass: 717.25
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[[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)CNc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)c2n1
• InChI: InChI=1S/C37H32FN9O6/c1-53-28-4-2-3-25(38)31(28)34-40-18-26-33(42-34)32(44-43-26)20-5-8-22(9-6-20)45-13-15-46(16-14-45)30(49)19-39-21-7-10-23-24(17-21)37(52)47(36(23)51)27-11-12-29(48)41-35(27)50/h2-10,17-18,27,39H,11-16,19H2,1H3,(H,43,44)(H,41,48,50)
• InChIKey: SKVAUTZSVGBAGU-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)-5-[[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)-5-[[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 155281237) is 2-(2,6-dioxopiperidin-3-yl)-5-[[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)-5-[[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)-5-[[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)CNc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)c2n1.

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

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[[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)-5-[[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)-5-[[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 155281237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).