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

C30H26Cl2FN7O6 — CID 168871141

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

4-[(2,6-dichlorobenzoyl)amino]-N-[1-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 168871141) has the molecular formula C30H26Cl2FN7O6 and a molecular weight of 670.49 g/mol. Its IUPAC name is 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
• PubChem CID: 168871141
• Molecular Formula: C30H26Cl2FN7O6
• Molecular Weight: 670.49 g/mol
• Exact Mass: 669.13
• IUPAC Name: 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3ccc(CN4CCC(NC(=O)c5[nH]ncc5NC(=O)c5c(Cl)cccc5Cl)CC4)c(F)c3C2=O)C(=O)N1
• InChI: InChI=1S/C30H26Cl2FN7O6/c31-17-2-1-3-18(32)23(17)27(43)36-19-12-34-38-25(19)28(44)35-15-8-10-39(11-9-15)13-14-4-5-16-22(24(14)33)30(46)40(29(16)45)20-6-7-21(41)37-26(20)42/h1-5,12,15,20H,6-11,13H2,(H,34,38)(H,35,44)(H,36,43)(H,37,41,42)
• InChIKey: AXSUYTCXAINHNA-UHFFFAOYSA-N
• XLogP: 2.90
• 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	670.49
LogP ≤ 5	2.90
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 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?

The IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 168871141) is 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.

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

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

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

The InChIKey is AXSUYTCXAINHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2FN7O6/c31-17-2-1-3-18(32)23(17)27(43)36-19-12-34-38-25(19)28(44)35-15-8-10-39(11-9-15)13-14-4-5-16-22(24(14)33)30(46)40(29(16)45)20-6-7-21(41)37-26(20)42/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 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?

4-[(2,6-dichlorobenzoyl)amino]-N-[1-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 670.49 g/mol, XLogP of 2.90, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 168871141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).