4-[4-[[6-bromo-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]-N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]-4-methylpiperidin-4-yl]-1-methylpiperazine-2-carboxamide

C41H45BrN10O5 — CID 178116186

About 4-[4-[[6-bromo-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]-N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]-4-methylpiperidin-4-yl]-1-methylpiperazine-2-carboxamide

4-[4-[[6-bromo-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]-N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]-4-methylpiperidin-4-yl]-1-methylpiperazine-2-carboxamide (PubChem CID 178116186) has the molecular formula C41H45BrN10O5 and a molecular weight of 837.78 g/mol. Its IUPAC name is 4-[4-[[6-bromo-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]-N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]-4-methylpiperidin-4-yl]-1-methylpiperazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[[6-bromo-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]-N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]-4-methylpiperidin-4-yl]-1-methylpiperazine-2-carboxamide
• PubChem CID: 178116186
• Molecular Formula: C41H45BrN10O5
• Molecular Weight: 837.78 g/mol
• Exact Mass: 836.28
• IUPAC Name: 4-[4-[[6-bromo-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]-N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]-4-methylpiperidin-4-yl]-1-methylpiperazine-2-carboxamide
• SMILES: Cc1nn(C)cc1-c1nc2ncc(Br)c(Oc3ccc(C(=O)N4CCN(C)C(C(=O)NC5(C)CCN(c6ccc([C@@H]7CCC(=O)NC7=O)cc6)CC5)C4)cc3)c2[nH]1
• InChI: InChI=1S/C41H45BrN10O5/c1-24-30(22-50(4)48-24)36-45-34-35(31(42)21-43-37(34)46-36)57-28-11-7-26(8-12-28)40(56)52-20-19-49(3)32(23-52)39(55)47-41(2)15-17-51(18-16-41)27-9-5-25(6-10-27)29-13-14-33(53)44-38(29)54/h5-12,21-22,29,32H,13-20,23H2,1-4H3,(H,47,55)(H,43,45,46)(H,44,53,54)/t29-,32?/m0/s1
• InChIKey: BIFYWDDCEHSGAB-QGFKTNLFSA-N
• XLogP: 4.67
• TPSA: 170.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.78
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[6-bromo-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]-N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]-4-methylpiperidin-4-yl]-1-methylpiperazine-2-carboxamide?

The IUPAC name of 4-[4-[[6-bromo-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]-N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]-4-methylpiperidin-4-yl]-1-methylpiperazine-2-carboxamide (CID 178116186) is 4-[4-[[6-bromo-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]-N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]-4-methylpiperidin-4-yl]-1-methylpiperazine-2-carboxamide.

What is the SMILES notation for 4-[4-[[6-bromo-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]-N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]-4-methylpiperidin-4-yl]-1-methylpiperazine-2-carboxamide?

The canonical SMILES for 4-[4-[[6-bromo-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]-N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]-4-methylpiperidin-4-yl]-1-methylpiperazine-2-carboxamide is Cc1nn(C)cc1-c1nc2ncc(Br)c(Oc3ccc(C(=O)N4CCN(C)C(C(=O)NC5(C)CCN(c6ccc([C@@H]7CCC(=O)NC7=O)cc6)CC5)C4)cc3)c2[nH]1.

What is the InChIKey of 4-[4-[[6-bromo-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]-N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]-4-methylpiperidin-4-yl]-1-methylpiperazine-2-carboxamide?

The InChIKey is BIFYWDDCEHSGAB-QGFKTNLFSA-N. The full InChI is InChI=1S/C41H45BrN10O5/c1-24-30(22-50(4)48-24)36-45-34-35(31(42)21-43-37(34)46-36)57-28-11-7-26(8-12-28)40(56)52-20-19-49(3)32(23-52)39(55)47-41(2)15-17-51(18-16-41)27-9-5-25(6-10-27)29-13-14-33(53)44-38(29)54/h5-12,21-22,29,32H,13-20,23H2,1-4H3,(H,47,55)(H,43,45,46)(H,44,53,54)/t29-,32?/m0/s1.

What are the key properties of 4-[4-[[6-bromo-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]-N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]-4-methylpiperidin-4-yl]-1-methylpiperazine-2-carboxamide?

4-[4-[[6-bromo-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]-N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]-4-methylpiperidin-4-yl]-1-methylpiperazine-2-carboxamide has a molecular weight of 837.78 g/mol, XLogP of 4.67, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[6-bromo-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]benzoyl]-N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]-4-methylpiperidin-4-yl]-1-methylpiperazine-2-carboxamide is sourced from PubChem (CID 178116186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).