[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl] 4-[3-(4-chloro-3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-oxopiperazine-1-carboxylate

C40H38ClN7O7 — CID 171572243

About [1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl] 4-[3-(4-chloro-3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-oxopiperazine-1-carboxylate

[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl] 4-[3-(4-chloro-3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-oxopiperazine-1-carboxylate (PubChem CID 171572243) has the molecular formula C40H38ClN7O7 and a molecular weight of 764.24 g/mol. Its IUPAC name is [1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl] 4-[3-(4-chloro-3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-oxopiperazine-1-carboxylate.

Molecular Properties

• Compound Name: [1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl] 4-[3-(4-chloro-3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-oxopiperazine-1-carboxylate
• PubChem CID: 171572243
• Molecular Formula: C40H38ClN7O7
• Molecular Weight: 764.24 g/mol
• Exact Mass: 763.25
• IUPAC Name: [1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl] 4-[3-(4-chloro-3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-oxopiperazine-1-carboxylate
• SMILES: O=C1CCC(N2C(=O)c3ccc(CN4CCC(OC(=O)N5CCN(c6cccc(-c7cnc8[nH]cc(C9CC9)c8c7Cl)c6)C(=O)C5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C40H38ClN7O7/c41-35-30(19-43-36-34(35)29(18-42-36)23-5-6-23)24-2-1-3-25(17-24)47-15-14-46(21-33(47)50)40(54)55-26-10-12-45(13-11-26)20-22-4-7-27-28(16-22)39(53)48(38(27)52)31-8-9-32(49)44-37(31)51/h1-4,7,16-19,23,26,31H,5-6,8-15,20-21H2,(H,42,43)(H,44,49,51)
• InChIKey: GWLDOYMAJWBFIA-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 165.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	764.24
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl] 4-[3-(4-chloro-3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-oxopiperazine-1-carboxylate?

The IUPAC name of [1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl] 4-[3-(4-chloro-3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-oxopiperazine-1-carboxylate (CID 171572243) is [1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl] 4-[3-(4-chloro-3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-oxopiperazine-1-carboxylate.

What is the SMILES notation for [1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl] 4-[3-(4-chloro-3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-oxopiperazine-1-carboxylate?

The canonical SMILES for [1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl] 4-[3-(4-chloro-3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-oxopiperazine-1-carboxylate is O=C1CCC(N2C(=O)c3ccc(CN4CCC(OC(=O)N5CCN(c6cccc(-c7cnc8[nH]cc(C9CC9)c8c7Cl)c6)C(=O)C5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of [1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl] 4-[3-(4-chloro-3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-oxopiperazine-1-carboxylate?

The InChIKey is GWLDOYMAJWBFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38ClN7O7/c41-35-30(19-43-36-34(35)29(18-42-36)23-5-6-23)24-2-1-3-25(17-24)47-15-14-46(21-33(47)50)40(54)55-26-10-12-45(13-11-26)20-22-4-7-27-28(16-22)39(53)48(38(27)52)31-8-9-32(49)44-37(31)51/h1-4,7,16-19,23,26,31H,5-6,8-15,20-21H2,(H,42,43)(H,44,49,51).

What are the key properties of [1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl] 4-[3-(4-chloro-3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-oxopiperazine-1-carboxylate?

[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl] 4-[3-(4-chloro-3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-oxopiperazine-1-carboxylate has a molecular weight of 764.24 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl] 4-[3-(4-chloro-3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 171572243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).