4-[4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-2,3-difluorophenyl]-N,N-dimethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-benzothiazole-6-carboxamide

C44H44F2N10O4S — CID 176932555

About 4-[4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-2,3-difluorophenyl]-N,N-dimethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-benzothiazole-6-carboxamide

4-[4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-2,3-difluorophenyl]-N,N-dimethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 176932555) has the molecular formula C44H44F2N10O4S and a molecular weight of 846.96 g/mol. Its IUPAC name is 4-[4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-2,3-difluorophenyl]-N,N-dimethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-2,3-difluorophenyl]-N,N-dimethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-benzothiazole-6-carboxamide
• PubChem CID: 176932555
• Molecular Formula: C44H44F2N10O4S
• Molecular Weight: 846.96 g/mol
• Exact Mass: 846.32
• IUPAC Name: 4-[4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-2,3-difluorophenyl]-N,N-dimethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-benzothiazole-6-carboxamide
• SMILES: CN(C)C(=O)c1cc(-c2ccc(C3CCN(c4cccc5c(C6CCC(=O)NC6=O)nn(C)c45)CC3)c(F)c2F)c2nc(C3=CCCN(C(=O)CCn4ccnn4)C3)sc2c1
• InChI: InChI=1S/C44H44F2N10O4S/c1-52(2)44(60)27-22-32(40-34(23-27)61-43(49-40)26-6-5-17-55(24-26)36(58)15-20-56-21-16-47-51-56)29-10-9-28(37(45)38(29)46)25-13-18-54(19-14-25)33-8-4-7-30-39(50-53(3)41(30)33)31-11-12-35(57)48-42(31)59/h4,6-10,16,21-23,25,31H,5,11-15,17-20,24H2,1-3H3,(H,48,57,59)
• InChIKey: ZKSFTYBHOIEQRM-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 151.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	846.96
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-2,3-difluorophenyl]-N,N-dimethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-benzothiazole-6-carboxamide?

The IUPAC name of 4-[4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-2,3-difluorophenyl]-N,N-dimethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-benzothiazole-6-carboxamide (CID 176932555) is 4-[4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-2,3-difluorophenyl]-N,N-dimethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-benzothiazole-6-carboxamide.

What is the SMILES notation for 4-[4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-2,3-difluorophenyl]-N,N-dimethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-benzothiazole-6-carboxamide?

The canonical SMILES for 4-[4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-2,3-difluorophenyl]-N,N-dimethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-benzothiazole-6-carboxamide is CN(C)C(=O)c1cc(-c2ccc(C3CCN(c4cccc5c(C6CCC(=O)NC6=O)nn(C)c45)CC3)c(F)c2F)c2nc(C3=CCCN(C(=O)CCn4ccnn4)C3)sc2c1.

What is the InChIKey of 4-[4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-2,3-difluorophenyl]-N,N-dimethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-benzothiazole-6-carboxamide?

The InChIKey is ZKSFTYBHOIEQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44F2N10O4S/c1-52(2)44(60)27-22-32(40-34(23-27)61-43(49-40)26-6-5-17-55(24-26)36(58)15-20-56-21-16-47-51-56)29-10-9-28(37(45)38(29)46)25-13-18-54(19-14-25)33-8-4-7-30-39(50-53(3)41(30)33)31-11-12-35(57)48-42(31)59/h4,6-10,16,21-23,25,31H,5,11-15,17-20,24H2,1-3H3,(H,48,57,59).

What are the key properties of 4-[4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-2,3-difluorophenyl]-N,N-dimethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-benzothiazole-6-carboxamide?

4-[4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-2,3-difluorophenyl]-N,N-dimethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 846.96 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]-2,3-difluorophenyl]-N,N-dimethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 176932555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).