2-[4-[[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

C46H49FN10O6 — CID 155640158

About 2-[4-[[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

2-[4-[[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 155640158) has the molecular formula C46H49FN10O6 and a molecular weight of 856.96 g/mol. Its IUPAC name is 2-[4-[[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
• PubChem CID: 155640158
• Molecular Formula: C46H49FN10O6
• Molecular Weight: 856.96 g/mol
• Exact Mass: 856.38
• IUPAC Name: 2-[4-[[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
• SMILES: CC1(C)C(Oc2ccc(C#N)c3ncccc23)C(C)(C)C1N1C(=O)CCC(N2C(=O)c3cc(F)c(N4CCN(CC5CCN(c6ncc(C(N)=O)cn6)CC5)CC4)cc3C2=O)C1=O
• InChI: InChI=1S/C46H49FN10O6/c1-45(2)42(46(3,4)43(45)63-35-9-7-27(22-48)37-29(35)6-5-13-50-37)57-36(58)10-8-33(41(57)62)56-39(60)30-20-32(47)34(21-31(30)40(56)61)54-18-16-53(17-19-54)25-26-11-14-55(15-12-26)44-51-23-28(24-52-44)38(49)59/h5-7,9,13,20-21,23-24,26,33,42-43H,8,10-12,14-19,25H2,1-4H3,(H2,49,59)
• InChIKey: RIMVASNWGPBXDQ-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 199.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	856.96
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?

The IUPAC name of 2-[4-[[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (CID 155640158) is 2-[4-[[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for 2-[4-[[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?

The canonical SMILES for 2-[4-[[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is CC1(C)C(Oc2ccc(C#N)c3ncccc23)C(C)(C)C1N1C(=O)CCC(N2C(=O)c3cc(F)c(N4CCN(CC5CCN(c6ncc(C(N)=O)cn6)CC5)CC4)cc3C2=O)C1=O.

What is the InChIKey of 2-[4-[[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?

The InChIKey is RIMVASNWGPBXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H49FN10O6/c1-45(2)42(46(3,4)43(45)63-35-9-7-27(22-48)37-29(35)6-5-13-50-37)57-36(58)10-8-33(41(57)62)56-39(60)30-20-32(47)34(21-31(30)40(56)61)54-18-16-53(17-19-54)25-26-11-14-55(15-12-26)44-51-23-28(24-52-44)38(49)59/h5-7,9,13,20-21,23-24,26,33,42-43H,8,10-12,14-19,25H2,1-4H3,(H2,49,59).

What are the key properties of 2-[4-[[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?

2-[4-[[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 856.96 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[4-[2-[1-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 155640158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).