2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[1-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]azetidin-3-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione

C45H52N8O5 — CID 165137172

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[1-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]azetidin-3-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[1-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]azetidin-3-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione (PubChem CID 165137172) has the molecular formula C45H52N8O5 and a molecular weight of 784.96 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[1-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]azetidin-3-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[1-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]azetidin-3-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
• PubChem CID: 165137172
• Molecular Formula: C45H52N8O5
• Molecular Weight: 784.96 g/mol
• Exact Mass: 784.41
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[1-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]azetidin-3-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
• SMILES: CC1(Oc2ccc3[nH]nc(-c4ccnc(N5CC(CCC6CCN(CC7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)CC6)C5)c4)c3c2)CC1
• InChI: InChI=1S/C45H52N8O5/c1-45(15-16-45)58-33-5-7-37-36(24-33)41(49-48-37)31-10-17-46-39(22-31)52-26-30(27-52)3-2-28-11-18-50(19-12-28)25-29-13-20-51(21-14-29)32-4-6-34-35(23-32)44(57)53(43(34)56)38-8-9-40(54)47-42(38)55/h4-7,10,17,22-24,28-30,38H,2-3,8-9,11-16,18-21,25-27H2,1H3,(H,48,49)(H,47,54,55)
• InChIKey: IJSIYIKHIZETNW-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 144.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.96
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-[[4-[2-[1-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]azetidin-3-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[1-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]azetidin-3-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione (CID 165137172) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[1-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]azetidin-3-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[1-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]azetidin-3-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione is CC1(Oc2ccc3[nH]nc(-c4ccnc(N5CC(CCC6CCN(CC7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)CC6)C5)c4)c3c2)CC1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[1-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]azetidin-3-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?

The InChIKey is IJSIYIKHIZETNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H52N8O5/c1-45(15-16-45)58-33-5-7-37-36(24-33)41(49-48-37)31-10-17-46-39(22-31)52-26-30(27-52)3-2-28-11-18-50(19-12-28)25-29-13-20-51(21-14-29)32-4-6-34-35(23-32)44(57)53(43(34)56)38-8-9-40(54)47-42(38)55/h4-7,10,17,22-24,28-30,38H,2-3,8-9,11-16,18-21,25-27H2,1H3,(H,48,49)(H,47,54,55).

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[1-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]azetidin-3-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione has a molecular weight of 784.96 g/mol, XLogP of 5.80, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[1-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]azetidin-3-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 165137172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).