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

C44H47F4N7O4 — CID 176932751

About 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]-2,3-difluorophenyl]-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)-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]-2,3-difluorophenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide (PubChem CID 176932751) has the molecular formula C44H47F4N7O4 and a molecular weight of 813.90 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)-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]-2,3-difluorophenyl]-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)-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]-2,3-difluorophenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide
• PubChem CID: 176932751
• Molecular Formula: C44H47F4N7O4
• Molecular Weight: 813.90 g/mol
• Exact Mass: 813.36
• IUPAC Name: 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]-2,3-difluorophenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide
• SMILES: CC(=O)N1CCC=C(c2cc(-c3ccc(N4CCN(C5CCN(c6ccc(C7CCC(=O)NC7=O)cc6F)CC5)CC4)c(F)c3F)c3cc(C(=O)N(C)C)[nH]c3c2F)C1
• InChI: InChI=1S/C44H47F4N7O4/c1-25(56)55-14-4-5-27(24-55)31-22-32(33-23-35(44(59)51(2)3)49-42(33)40(31)47)30-7-10-37(41(48)39(30)46)54-19-17-52(18-20-54)28-12-15-53(16-13-28)36-9-6-26(21-34(36)45)29-8-11-38(57)50-43(29)58/h5-7,9-10,21-23,28-29,49H,4,8,11-20,24H2,1-3H3,(H,50,57,58)
• InChIKey: SRWMGUFAFDVMHD-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 112.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.90
LogP ≤ 5	6.04
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 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]-2,3-difluorophenyl]-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)-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]-2,3-difluorophenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide (CID 176932751) is 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]-2,3-difluorophenyl]-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)-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]-2,3-difluorophenyl]-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)-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]-2,3-difluorophenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide is CC(=O)N1CCC=C(c2cc(-c3ccc(N4CCN(C5CCN(c6ccc(C7CCC(=O)NC7=O)cc6F)CC5)CC4)c(F)c3F)c3cc(C(=O)N(C)C)[nH]c3c2F)C1.

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)-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]-2,3-difluorophenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide?

The InChIKey is SRWMGUFAFDVMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H47F4N7O4/c1-25(56)55-14-4-5-27(24-55)31-22-32(33-23-35(44(59)51(2)3)49-42(33)40(31)47)30-7-10-37(41(48)39(30)46)54-19-17-52(18-20-54)28-12-15-53(16-13-28)36-9-6-26(21-34(36)45)29-8-11-38(57)50-43(29)58/h5-7,9-10,21-23,28-29,49H,4,8,11-20,24H2,1-3H3,(H,50,57,58).

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)-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]-2,3-difluorophenyl]-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)-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]-2,3-difluorophenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide has a molecular weight of 813.90 g/mol, XLogP of 6.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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)-2-fluorophenyl]piperidin-4-yl]piperazin-1-yl]-2,3-difluorophenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 176932751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).