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

C50H53F3N8O5 — CID 176932608

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

4-[4-[1-[2-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-2-fluoroethyl]piperidin-4-yl]-3-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (PubChem CID 176932608) has the molecular formula C50H53F3N8O5 and a molecular weight of 903.02 g/mol. Its IUPAC name is 4-[4-[1-[2-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-2-fluoroethyl]piperidin-4-yl]-3-fluorophenyl]-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-[1-[2-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-2-fluoroethyl]piperidin-4-yl]-3-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
• PubChem CID: 176932608
• Molecular Formula: C50H53F3N8O5
• Molecular Weight: 903.02 g/mol
• Exact Mass: 902.41
• IUPAC Name: 4-[4-[1-[2-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-2-fluoroethyl]piperidin-4-yl]-3-fluorophenyl]-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(-c3ccc(C4CCN(CC(F)c5cccc6c5C(C)(C)C(=O)N6C5CCC(=O)NC5=O)CC4)c(F)c3)cc(C3=CCCN(C(=O)CCn4cccn4)C3)c(F)c2[nH]1
• InChI: InChI=1S/C50H53F3N8O5/c1-50(2)44-33(9-5-10-40(44)61(49(50)66)41-13-14-42(62)56-47(41)64)38(52)28-58-21-15-29(16-22-58)32-12-11-30(24-37(32)51)34-25-35(45(53)46-36(34)26-39(55-46)48(65)57(3)4)31-8-6-19-59(27-31)43(63)17-23-60-20-7-18-54-60/h5,7-12,18,20,24-26,29,38,41,55H,6,13-17,19,21-23,27-28H2,1-4H3,(H,56,62,64)
• InChIKey: QJSWFOKUDLGDJY-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 143.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.02
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[2-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-2-fluoroethyl]piperidin-4-yl]-3-fluorophenyl]-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-[1-[2-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-2-fluoroethyl]piperidin-4-yl]-3-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (CID 176932608) is 4-[4-[1-[2-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-2-fluoroethyl]piperidin-4-yl]-3-fluorophenyl]-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-[1-[2-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-2-fluoroethyl]piperidin-4-yl]-3-fluorophenyl]-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-[1-[2-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-2-fluoroethyl]piperidin-4-yl]-3-fluorophenyl]-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(-c3ccc(C4CCN(CC(F)c5cccc6c5C(C)(C)C(=O)N6C5CCC(=O)NC5=O)CC4)c(F)c3)cc(C3=CCCN(C(=O)CCn4cccn4)C3)c(F)c2[nH]1.

What is the InChIKey of 4-[4-[1-[2-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-2-fluoroethyl]piperidin-4-yl]-3-fluorophenyl]-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 QJSWFOKUDLGDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H53F3N8O5/c1-50(2)44-33(9-5-10-40(44)61(49(50)66)41-13-14-42(62)56-47(41)64)38(52)28-58-21-15-29(16-22-58)32-12-11-30(24-37(32)51)34-25-35(45(53)46-36(34)26-39(55-46)48(65)57(3)4)31-8-6-19-59(27-31)43(63)17-23-60-20-7-18-54-60/h5,7-12,18,20,24-26,29,38,41,55H,6,13-17,19,21-23,27-28H2,1-4H3,(H,56,62,64).

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

4-[4-[1-[2-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-2-fluoroethyl]piperidin-4-yl]-3-fluorophenyl]-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 903.02 g/mol, XLogP of 7.04, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[1-[2-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]-2-fluoroethyl]piperidin-4-yl]-3-fluorophenyl]-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 176932608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).