2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(3R)-3-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione

C43H52N10O5 — CID 156867280

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(3R)-3-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(3R)-3-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione (PubChem CID 156867280) has the molecular formula C43H52N10O5 and a molecular weight of 788.95 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(3R)-3-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(3R)-3-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
• PubChem CID: 156867280
• Molecular Formula: C43H52N10O5
• Molecular Weight: 788.95 g/mol
• Exact Mass: 788.41
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(3R)-3-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
• SMILES: CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(CC[C@H]5CCN(CC6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)CC4)ncn3)c2c1
• InChI: InChI=1S/C43H52N10O5/c1-27(2)58-31-4-6-35-34(22-31)40(48-47-35)36-23-38(45-26-44-36)52-19-17-49(18-20-52)13-9-28-10-14-50(24-28)25-29-11-15-51(16-12-29)30-3-5-32-33(21-30)43(57)53(42(32)56)37-7-8-39(54)46-41(37)55/h3-6,21-23,26-29,37H,7-20,24-25H2,1-2H3,(H,47,48)(H,46,54,55)/t28-,37?/m0/s1
• InChIKey: HCIGMLUPYKCKJO-NJJKIRBJSA-N
• XLogP: 3.96
• TPSA: 160.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.95
LogP ≤ 5	3.96
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-[[(3R)-3-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(3R)-3-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione (CID 156867280) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(3R)-3-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(3R)-3-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(3R)-3-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione is CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(CC[C@H]5CCN(CC6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)CC4)ncn3)c2c1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(3R)-3-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?

The InChIKey is HCIGMLUPYKCKJO-NJJKIRBJSA-N. The full InChI is InChI=1S/C43H52N10O5/c1-27(2)58-31-4-6-35-34(22-31)40(48-47-35)36-23-38(45-26-44-36)52-19-17-49(18-20-52)13-9-28-10-14-50(24-28)25-29-11-15-51(16-12-29)30-3-5-32-33(21-30)43(57)53(42(32)56)37-7-8-39(54)46-41(37)55/h3-6,21-23,26-29,37H,7-20,24-25H2,1-2H3,(H,47,48)(H,46,54,55)/t28-,37?/m0/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(3R)-3-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[(3R)-3-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione has a molecular weight of 788.95 g/mol, XLogP of 3.96, 11 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-[[(3R)-3-[2-[4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 156867280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).