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

C30H28BrCl2N7O5 — CID 168871897

About N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-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-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 168871897) has the molecular formula C30H28BrCl2N7O5 and a molecular weight of 717.41 g/mol. Its IUPAC name is N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-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-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
• PubChem CID: 168871897
• Molecular Formula: C30H28BrCl2N7O5
• Molecular Weight: 717.41 g/mol
• Exact Mass: 715.07
• IUPAC Name: N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
• SMILES: O=C1CCC(N2Cc3c(ccc(CN4CCC(NC(=O)c5[nH]ncc5NC(=O)c5c(Cl)cccc5Cl)CC4)c3Br)C2=O)C(=O)N1
• InChI: InChI=1S/C30H28BrCl2N7O5/c31-25-15(4-5-17-18(25)14-40(30(17)45)22-6-7-23(41)37-27(22)42)13-39-10-8-16(9-11-39)35-29(44)26-21(12-34-38-26)36-28(43)24-19(32)2-1-3-20(24)33/h1-5,12,16,22H,6-11,13-14H2,(H,34,38)(H,35,44)(H,36,43)(H,37,41,42)
• InChIKey: AROHTEINMIYGBB-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 156.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	717.41
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	4
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-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-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-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 168871897) is N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-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-oxo-3H-isoindol-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-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide is O=C1CCC(N2Cc3c(ccc(CN4CCC(NC(=O)c5[nH]ncc5NC(=O)c5c(Cl)cccc5Cl)CC4)c3Br)C2=O)C(=O)N1.

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

The InChIKey is AROHTEINMIYGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28BrCl2N7O5/c31-25-15(4-5-17-18(25)14-40(30(17)45)22-6-7-23(41)37-27(22)42)13-39-10-8-16(9-11-39)35-29(44)26-21(12-34-38-26)36-28(43)24-19(32)2-1-3-20(24)33/h1-5,12,16,22H,6-11,13-14H2,(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-oxo-3H-isoindol-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-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 717.41 g/mol, XLogP of 3.89, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[4-bromo-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]piperidin-4-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 168871897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).