2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]oxycyclobutyl]oxypiperidin-1-yl]isoindole-1,3-dione

C42H46N8O7 — CID 165137526

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]oxycyclobutyl]oxypiperidin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]oxycyclobutyl]oxypiperidin-1-yl]isoindole-1,3-dione (PubChem CID 165137526) has the molecular formula C42H46N8O7 and a molecular weight of 774.88 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]oxycyclobutyl]oxypiperidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]oxycyclobutyl]oxypiperidin-1-yl]isoindole-1,3-dione
• PubChem CID: 165137526
• Molecular Formula: C42H46N8O7
• Molecular Weight: 774.88 g/mol
• Exact Mass: 774.35
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]oxycyclobutyl]oxypiperidin-1-yl]isoindole-1,3-dione
• SMILES: CC1(Oc2ccc3[nH]nc(-c4cc(N5CCC(OC6CC(OC7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)C6)CC5)ncn4)c3c2)CC1
• InChI: InChI=1S/C42H46N8O7/c1-42(12-13-42)57-27-3-5-33-32(21-27)38(47-46-33)34-22-36(44-23-43-34)49-16-10-26(11-17-49)56-29-19-28(20-29)55-25-8-14-48(15-9-25)24-2-4-30-31(18-24)41(54)50(40(30)53)35-6-7-37(51)45-39(35)52/h2-5,18,21-23,25-26,28-29,35H,6-17,19-20H2,1H3,(H,46,47)(H,45,51,52)
• InChIKey: NSUUPPCPDGQJKD-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 172.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.88
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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-[4-[3-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]oxycyclobutyl]oxypiperidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]oxycyclobutyl]oxypiperidin-1-yl]isoindole-1,3-dione (CID 165137526) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]oxycyclobutyl]oxypiperidin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]oxycyclobutyl]oxypiperidin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]oxycyclobutyl]oxypiperidin-1-yl]isoindole-1,3-dione is CC1(Oc2ccc3[nH]nc(-c4cc(N5CCC(OC6CC(OC7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)C6)CC5)ncn4)c3c2)CC1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]oxycyclobutyl]oxypiperidin-1-yl]isoindole-1,3-dione?

The InChIKey is NSUUPPCPDGQJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46N8O7/c1-42(12-13-42)57-27-3-5-33-32(21-27)38(47-46-33)34-22-36(44-23-43-34)49-16-10-26(11-17-49)56-29-19-28(20-29)55-25-8-14-48(15-9-25)24-2-4-30-31(18-24)41(54)50(40(30)53)35-6-7-37(51)45-39(35)52/h2-5,18,21-23,25-26,28-29,35H,6-17,19-20H2,1H3,(H,46,47)(H,45,51,52).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]oxycyclobutyl]oxypiperidin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]oxycyclobutyl]oxypiperidin-1-yl]isoindole-1,3-dione has a molecular weight of 774.88 g/mol, XLogP of 4.55, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-yl]oxycyclobutyl]oxypiperidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 165137526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).