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

C44H45F2N7O5 — CID 176933860

About 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)oxy-2-fluorophenyl]piperidin-4-yl]phenyl]-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-[4-(2,6-dioxopiperidin-3-yl)oxy-2-fluorophenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (PubChem CID 176933860) has the molecular formula C44H45F2N7O5 and a molecular weight of 789.88 g/mol. Its IUPAC name is 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)oxy-2-fluorophenyl]piperidin-4-yl]phenyl]-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-[4-(2,6-dioxopiperidin-3-yl)oxy-2-fluorophenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
• PubChem CID: 176933860
• Molecular Formula: C44H45F2N7O5
• Molecular Weight: 789.88 g/mol
• Exact Mass: 789.35
• IUPAC Name: 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)oxy-2-fluorophenyl]piperidin-4-yl]phenyl]-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(c5ccc(OC6CCC(=O)NC6=O)cc5F)CC4)cc3)cc(C3=CCCN(C(=O)CCn4cccn4)C3)c(F)c2[nH]1
• InChI: InChI=1S/C44H45F2N7O5/c1-50(2)44(57)36-25-34-32(24-33(41(46)42(34)48-36)30-5-3-18-52(26-30)40(55)16-22-53-19-4-17-47-53)29-8-6-27(7-9-29)28-14-20-51(21-15-28)37-11-10-31(23-35(37)45)58-38-12-13-39(54)49-43(38)56/h4-11,17,19,23-25,28,38,48H,3,12-16,18,20-22,26H2,1-2H3,(H,49,54,56)
• InChIKey: JSVMXGFMFFCYRA-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 132.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.88
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)oxy-2-fluorophenyl]piperidin-4-yl]phenyl]-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-[4-(2,6-dioxopiperidin-3-yl)oxy-2-fluorophenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (CID 176933860) is 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)oxy-2-fluorophenyl]piperidin-4-yl]phenyl]-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-[4-(2,6-dioxopiperidin-3-yl)oxy-2-fluorophenyl]piperidin-4-yl]phenyl]-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-[4-(2,6-dioxopiperidin-3-yl)oxy-2-fluorophenyl]piperidin-4-yl]phenyl]-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(c5ccc(OC6CCC(=O)NC6=O)cc5F)CC4)cc3)cc(C3=CCCN(C(=O)CCn4cccn4)C3)c(F)c2[nH]1.

What is the InChIKey of 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)oxy-2-fluorophenyl]piperidin-4-yl]phenyl]-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 JSVMXGFMFFCYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45F2N7O5/c1-50(2)44(57)36-25-34-32(24-33(41(46)42(34)48-36)30-5-3-18-52(26-30)40(55)16-22-53-19-4-17-47-53)29-8-6-27(7-9-29)28-14-20-51(21-15-28)37-11-10-31(23-35(37)45)58-38-12-13-39(54)49-43(38)56/h4-11,17,19,23-25,28,38,48H,3,12-16,18,20-22,26H2,1-2H3,(H,49,54,56).

What are the key properties of 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)oxy-2-fluorophenyl]piperidin-4-yl]phenyl]-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-[4-(2,6-dioxopiperidin-3-yl)oxy-2-fluorophenyl]piperidin-4-yl]phenyl]-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 789.88 g/mol, XLogP of 6.29, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)oxy-2-fluorophenyl]piperidin-4-yl]phenyl]-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 176933860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).