4-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]ethyl]piperidin-1-yl]-2,5-difluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

C46H47F4N7O4 — CID 176933041

About 4-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]ethyl]piperidin-1-yl]-2,5-difluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

4-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]ethyl]piperidin-1-yl]-2,5-difluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (PubChem CID 176933041) has the molecular formula C46H47F4N7O4 and a molecular weight of 837.92 g/mol. Its IUPAC name is 4-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]ethyl]piperidin-1-yl]-2,5-difluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]ethyl]piperidin-1-yl]-2,5-difluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
• PubChem CID: 176933041
• Molecular Formula: C46H47F4N7O4
• Molecular Weight: 837.92 g/mol
• Exact Mass: 837.36
• IUPAC Name: 4-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]ethyl]piperidin-1-yl]-2,5-difluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
• SMILES: CN(C)C(=O)c1cc2c(-c3cc(F)c(N4CCC(CCc5ccc(C6CCC(=O)NC6=O)cc5F)CC4)cc3F)cc(C3=CCCN(C(=O)CCn4cccn4)C3)c(F)c2[nH]1
• InChI: InChI=1S/C46H47F4N7O4/c1-54(2)46(61)39-24-35-33(22-32(43(50)44(35)52-39)30-5-3-16-56(26-30)42(59)14-20-57-17-4-15-51-57)34-23-38(49)40(25-37(34)48)55-18-12-27(13-19-55)6-7-28-8-9-29(21-36(28)47)31-10-11-41(58)53-45(31)60/h4-5,8-9,15,17,21-25,27,31,52H,3,6-7,10-14,16,18-20,26H2,1-2H3,(H,53,58,60)
• InChIKey: FXOBHMSZRBCTBX-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 123.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.92
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	2
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 4-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]ethyl]piperidin-1-yl]-2,5-difluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The IUPAC name of 4-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]ethyl]piperidin-1-yl]-2,5-difluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (CID 176933041) is 4-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]ethyl]piperidin-1-yl]-2,5-difluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 4-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]ethyl]piperidin-1-yl]-2,5-difluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 4-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]ethyl]piperidin-1-yl]-2,5-difluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2c(-c3cc(F)c(N4CCC(CCc5ccc(C6CCC(=O)NC6=O)cc5F)CC4)cc3F)cc(C3=CCCN(C(=O)CCn4cccn4)C3)c(F)c2[nH]1.

What is the InChIKey of 4-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]ethyl]piperidin-1-yl]-2,5-difluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The InChIKey is FXOBHMSZRBCTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H47F4N7O4/c1-54(2)46(61)39-24-35-33(22-32(43(50)44(35)52-39)30-5-3-16-56(26-30)42(59)14-20-57-17-4-15-51-57)34-23-38(49)40(25-37(34)48)55-18-12-27(13-19-55)6-7-28-8-9-29(21-36(28)47)31-10-11-41(58)53-45(31)60/h4-5,8-9,15,17,21-25,27,31,52H,3,6-7,10-14,16,18-20,26H2,1-2H3,(H,53,58,60).

What are the key properties of 4-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]ethyl]piperidin-1-yl]-2,5-difluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

4-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]ethyl]piperidin-1-yl]-2,5-difluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide has a molecular weight of 837.92 g/mol, XLogP of 7.36, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]ethyl]piperidin-1-yl]-2,5-difluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 176933041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).