[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl] 4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carboxylate

C36H41FN8O6 — CID 164719735

About [1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl] 4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carboxylate

[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl] 4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carboxylate (PubChem CID 164719735) has the molecular formula C36H41FN8O6 and a molecular weight of 700.77 g/mol. Its IUPAC name is [1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl] 4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: [1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl] 4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carboxylate
• PubChem CID: 164719735
• Molecular Formula: C36H41FN8O6
• Molecular Weight: 700.77 g/mol
• Exact Mass: 700.31
• IUPAC Name: [1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl] 4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carboxylate
• SMILES: COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(F)c1CN1CCN(C(=O)OC2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1
• InChI: InChI=1S/C36H41FN8O6/c1-42-20-27(26-19-38-41-33(26)35(42)48)22-17-29(37)28(31(18-22)50-2)21-43-13-15-45(16-14-43)36(49)51-25-9-11-44(12-10-25)24-5-3-23(4-6-24)39-30-7-8-32(46)40-34(30)47/h3-6,17-20,25,30,39H,7-16,21H2,1-2H3,(H,38,41)(H,40,46,47)
• InChIKey: ITHSTZBPXSJXOY-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 154.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.77
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl] 4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carboxylate?

The IUPAC name of [1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl] 4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carboxylate (CID 164719735) is [1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl] 4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carboxylate.

What is the SMILES notation for [1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl] 4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carboxylate?

The canonical SMILES for [1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl] 4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carboxylate is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(F)c1CN1CCN(C(=O)OC2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1.

What is the InChIKey of [1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl] 4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carboxylate?

The InChIKey is ITHSTZBPXSJXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41FN8O6/c1-42-20-27(26-19-38-41-33(26)35(42)48)22-17-29(37)28(31(18-22)50-2)21-43-13-15-45(16-14-43)36(49)51-25-9-11-44(12-10-25)24-5-3-23(4-6-24)39-30-7-8-32(46)40-34(30)47/h3-6,17-20,25,30,39H,7-16,21H2,1-2H3,(H,38,41)(H,40,46,47).

What are the key properties of [1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl] 4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carboxylate?

[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl] 4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carboxylate has a molecular weight of 700.77 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-4-yl] 4-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 164719735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).