3-[7-fluoro-6-[4-[4-[[4-[6-methyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]cyclohexyl]oxypiperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C46H55FN8O5 — CID 165136773

About 3-[7-fluoro-6-[4-[4-[[4-[6-methyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]cyclohexyl]oxypiperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-fluoro-6-[4-[4-[[4-[6-methyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]cyclohexyl]oxypiperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 165136773) has the molecular formula C46H55FN8O5 and a molecular weight of 819.00 g/mol. Its IUPAC name is 3-[7-fluoro-6-[4-[4-[[4-[6-methyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]cyclohexyl]oxypiperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[7-fluoro-6-[4-[4-[[4-[6-methyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]cyclohexyl]oxypiperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 165136773
• Molecular Formula: C46H55FN8O5
• Molecular Weight: 819.00 g/mol
• Exact Mass: 818.43
• IUPAC Name: 3-[7-fluoro-6-[4-[4-[[4-[6-methyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]cyclohexyl]oxypiperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: Cc1cc(-c2n[nH]c3ccc(OC4(C)CC4)cc23)cc(N2CCN(CC3CCC(OC4CCN(c5ccc6c(c5F)CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)n1
• InChI: InChI=1S/C46H55FN8O5/c1-28-23-30(43-35-25-33(60-46(2)15-16-46)7-9-37(35)50-51-43)24-40(48-28)54-21-19-52(20-22-54)26-29-3-5-31(6-4-29)59-32-13-17-53(18-14-32)38-10-8-34-36(42(38)47)27-55(45(34)58)39-11-12-41(56)49-44(39)57/h7-10,23-25,29,31-32,39H,3-6,11-22,26-27H2,1-2H3,(H,50,51)(H,49,56,57)
• InChIKey: YICVVABPSYUAIR-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 136.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.00
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	2
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 3-[7-fluoro-6-[4-[4-[[4-[6-methyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]cyclohexyl]oxypiperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[7-fluoro-6-[4-[4-[[4-[6-methyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]cyclohexyl]oxypiperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 165136773) is 3-[7-fluoro-6-[4-[4-[[4-[6-methyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]cyclohexyl]oxypiperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[7-fluoro-6-[4-[4-[[4-[6-methyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]cyclohexyl]oxypiperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[7-fluoro-6-[4-[4-[[4-[6-methyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]cyclohexyl]oxypiperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cc1cc(-c2n[nH]c3ccc(OC4(C)CC4)cc23)cc(N2CCN(CC3CCC(OC4CCN(c5ccc6c(c5F)CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)n1.

What is the InChIKey of 3-[7-fluoro-6-[4-[4-[[4-[6-methyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]cyclohexyl]oxypiperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is YICVVABPSYUAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H55FN8O5/c1-28-23-30(43-35-25-33(60-46(2)15-16-46)7-9-37(35)50-51-43)24-40(48-28)54-21-19-52(20-22-54)26-29-3-5-31(6-4-29)59-32-13-17-53(18-14-32)38-10-8-34-36(42(38)47)27-55(45(34)58)39-11-12-41(56)49-44(39)57/h7-10,23-25,29,31-32,39H,3-6,11-22,26-27H2,1-2H3,(H,50,51)(H,49,56,57).

What are the key properties of 3-[7-fluoro-6-[4-[4-[[4-[6-methyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]cyclohexyl]oxypiperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[7-fluoro-6-[4-[4-[[4-[6-methyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]cyclohexyl]oxypiperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 819.00 g/mol, XLogP of 6.13, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-fluoro-6-[4-[4-[[4-[6-methyl-4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]cyclohexyl]oxypiperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 165136773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).