6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-(trifluoromethoxy)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide

C46H51F5N8O6 — CID 176933494

About 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-(trifluoromethoxy)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide

6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-(trifluoromethoxy)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide (PubChem CID 176933494) has the molecular formula C46H51F5N8O6 and a molecular weight of 906.95 g/mol. Its IUPAC name is 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-(trifluoromethoxy)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-(trifluoromethoxy)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide
• PubChem CID: 176933494
• Molecular Formula: C46H51F5N8O6
• Molecular Weight: 906.95 g/mol
• Exact Mass: 906.39
• IUPAC Name: 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-(trifluoromethoxy)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide
• SMILES: COc1cc(N2CCC(N3CCN(c4ccc(-c5cc(C6=CCCN(C(C)=O)C6)c(F)c6[nH]c(C(=O)N(C)C)cc56)c(OC(F)(F)F)c4)CC3)CC2)c(F)cc1NC1CCC(=O)NC1=O
• InChI: InChI=1S/C46H51F5N8O6/c1-26(60)59-13-5-6-27(25-59)31-21-32(33-22-37(45(63)55(2)3)53-43(33)42(31)48)30-8-7-29(20-39(30)65-46(49,50)51)57-18-16-56(17-19-57)28-11-14-58(15-12-28)38-24-40(64-4)36(23-34(38)47)52-35-9-10-41(61)54-44(35)62/h6-8,20-24,28,35,52-53H,5,9-19,25H2,1-4H3,(H,54,61,62)
• InChIKey: BLODJPZHFGCFGJ-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 142.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	906.95
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-(trifluoromethoxy)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide?

The IUPAC name of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-(trifluoromethoxy)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide (CID 176933494) is 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-(trifluoromethoxy)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide.

What is the SMILES notation for 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-(trifluoromethoxy)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide?

The canonical SMILES for 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-(trifluoromethoxy)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide is COc1cc(N2CCC(N3CCN(c4ccc(-c5cc(C6=CCCN(C(C)=O)C6)c(F)c6[nH]c(C(=O)N(C)C)cc56)c(OC(F)(F)F)c4)CC3)CC2)c(F)cc1NC1CCC(=O)NC1=O.

What is the InChIKey of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-(trifluoromethoxy)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide?

The InChIKey is BLODJPZHFGCFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H51F5N8O6/c1-26(60)59-13-5-6-27(25-59)31-21-32(33-22-37(45(63)55(2)3)53-43(33)42(31)48)30-8-7-29(20-39(30)65-46(49,50)51)57-18-16-56(17-19-57)28-11-14-58(15-12-28)38-24-40(64-4)36(23-34(38)47)52-35-9-10-41(61)54-44(35)62/h6-8,20-24,28,35,52-53H,5,9-19,25H2,1-4H3,(H,54,61,62).

What are the key properties of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-(trifluoromethoxy)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide?

6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-(trifluoromethoxy)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide has a molecular weight of 906.95 g/mol, XLogP of 6.37, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-(trifluoromethoxy)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 176933494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).