N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide

C30H35N7O4 — CID 155208067

About N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide

N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 155208067) has the molecular formula C30H35N7O4 and a molecular weight of 557.66 g/mol. Its IUPAC name is N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide
• PubChem CID: 155208067
• Molecular Formula: C30H35N7O4
• Molecular Weight: 557.66 g/mol
• Exact Mass: 557.28
• IUPAC Name: N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide
• SMILES: CN(C(=O)N1CCC(n2cc(Nc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1)C(C)(C)C
• InChI: InChI=1S/C30H35N7O4/c1-30(2,3)34(4)29(41)35-14-12-19(13-15-35)36-17-18(16-31-36)32-22-8-9-23-26-20(22)6-5-7-21(26)28(40)37(23)24-10-11-25(38)33-27(24)39/h5-9,16-17,19,24,32H,10-15H2,1-4H3,(H,33,38,39)
• InChIKey: QZJHFTGMUOCRNK-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 119.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.66
LogP ≤ 5	4.03
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 N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide?

The IUPAC name of N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide (CID 155208067) is N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide.

What is the SMILES notation for N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide?

The canonical SMILES for N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide is CN(C(=O)N1CCC(n2cc(Nc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1)C(C)(C)C.

What is the InChIKey of N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide?

The InChIKey is QZJHFTGMUOCRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O4/c1-30(2,3)34(4)29(41)35-14-12-19(13-15-35)36-17-18(16-31-36)32-22-8-9-23-26-20(22)6-5-7-21(26)28(40)37(23)24-10-11-25(38)33-27(24)39/h5-9,16-17,19,24,32H,10-15H2,1-4H3,(H,33,38,39).

What are the key properties of N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide?

N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 557.66 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 155208067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).