N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide

C30H26BrCl2N7O6 — CID 168871339

About N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide

N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 168871339) has the molecular formula C30H26BrCl2N7O6 and a molecular weight of 731.39 g/mol. Its IUPAC name is N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
• PubChem CID: 168871339
• Molecular Formula: C30H26BrCl2N7O6
• Molecular Weight: 731.39 g/mol
• Exact Mass: 729.05
• IUPAC Name: N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3ccc(CN4CCC(NC(=O)c5[nH]ncc5NC(=O)c5c(Cl)cccc5Cl)CC4)c(Br)c3C2=O)C(=O)N1
• InChI: InChI=1S/C30H26BrCl2N7O6/c31-24-14(4-5-16-22(24)30(46)40(29(16)45)20-6-7-21(41)37-26(20)42)13-39-10-8-15(9-11-39)35-28(44)25-19(12-34-38-25)36-27(43)23-17(32)2-1-3-18(23)33/h1-5,12,15,20H,6-11,13H2,(H,34,38)(H,35,44)(H,36,43)(H,37,41,42)
• InChIKey: VBFJTRKLYHUZCL-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 173.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	731.39
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 168871339) is N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide is O=C1CCC(N2C(=O)c3ccc(CN4CCC(NC(=O)c5[nH]ncc5NC(=O)c5c(Cl)cccc5Cl)CC4)c(Br)c3C2=O)C(=O)N1.

What is the InChIKey of N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide?

The InChIKey is VBFJTRKLYHUZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26BrCl2N7O6/c31-24-14(4-5-16-22(24)30(46)40(29(16)45)20-6-7-21(41)37-26(20)42)13-39-10-8-15(9-11-39)35-28(44)25-19(12-34-38-25)36-27(43)23-17(32)2-1-3-18(23)33/h1-5,12,15,20H,6-11,13H2,(H,34,38)(H,35,44)(H,36,43)(H,37,41,42).

What are the key properties of N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide?

N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 731.39 g/mol, XLogP of 3.53, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 168871339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).