3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione

C33H25N5O4 — CID 153390253

About 3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione

3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione (PubChem CID 153390253) has the molecular formula C33H25N5O4 and a molecular weight of 555.59 g/mol. Its IUPAC name is 3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione
• PubChem CID: 153390253
• Molecular Formula: C33H25N5O4
• Molecular Weight: 555.59 g/mol
• Exact Mass: 555.19
• IUPAC Name: 3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(n2c3ccccc3c3ccc(-c4ccc5c6cccnc6n(C6CCC(=O)NC6=O)c5c4)cc32)C(=O)N1
• InChI: InChI=1S/C33H25N5O4/c39-29-13-11-25(32(41)35-29)37-24-6-2-1-4-20(24)21-9-7-18(16-27(21)37)19-8-10-22-23-5-3-15-34-31(23)38(28(22)17-19)26-12-14-30(40)36-33(26)42/h1-10,15-17,25-26H,11-14H2,(H,35,39,41)(H,36,40,42)
• InChIKey: BDWKXGRUWXIXQM-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 115.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.59
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione?

The IUPAC name of 3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione (CID 153390253) is 3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione is O=C1CCC(n2c3ccccc3c3ccc(-c4ccc5c6cccnc6n(C6CCC(=O)NC6=O)c5c4)cc32)C(=O)N1.

What is the InChIKey of 3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione?

The InChIKey is BDWKXGRUWXIXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N5O4/c39-29-13-11-25(32(41)35-29)37-24-6-2-1-4-20(24)21-9-7-18(16-27(21)37)19-8-10-22-23-5-3-15-34-31(23)38(28(22)17-19)26-12-14-30(40)36-33(26)42/h1-10,15-17,25-26H,11-14H2,(H,35,39,41)(H,36,40,42).

What are the key properties of 3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione?

3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione has a molecular weight of 555.59 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[9-(2,6-dioxopiperidin-3-yl)pyrido[2,3-b]indol-7-yl]carbazol-9-yl]piperidine-2,6-dione is sourced from PubChem (CID 153390253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).