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

C44H45FN10O6 — CID 156663271

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

5-[4-[[4-[2-[1-[4-(8-cyanoquinolin-5-yl)oxycyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 156663271) has the molecular formula C44H45FN10O6 and a molecular weight of 828.91 g/mol. Its IUPAC name is 5-[4-[[4-[2-[1-[4-(8-cyanoquinolin-5-yl)oxycyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[[4-[2-[1-[4-(8-cyanoquinolin-5-yl)oxycyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 156663271
• Molecular Formula: C44H45FN10O6
• Molecular Weight: 828.91 g/mol
• Exact Mass: 828.35
• IUPAC Name: 5-[4-[[4-[2-[1-[4-(8-cyanoquinolin-5-yl)oxycyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide
• SMILES: N#Cc1ccc(OC2CCC(N3C(=O)CCC(N4C(=O)c5cc(F)c(N6CCN(CC7CCN(c8cnc(C(N)=O)cn8)CC7)CC6)cc5C4=O)C3=O)CC2)c2cccnc12
• InChI: InChI=1S/C44H45FN10O6/c45-33-20-31-32(21-36(33)52-18-16-51(17-19-52)25-26-11-14-53(15-12-26)38-24-49-34(23-50-38)41(47)57)43(59)55(42(31)58)35-8-10-39(56)54(44(35)60)28-4-6-29(7-5-28)61-37-9-3-27(22-46)40-30(37)2-1-13-48-40/h1-3,9,13,20-21,23-24,26,28-29,35H,4-8,10-12,14-19,25H2,(H2,47,57)
• InChIKey: PMTUBQOMWPAEJX-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 199.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.91
LogP ≤ 5	3.68
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 5-[4-[[4-[2-[1-[4-(8-cyanoquinolin-5-yl)oxycyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of 5-[4-[[4-[2-[1-[4-(8-cyanoquinolin-5-yl)oxycyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide (CID 156663271) is 5-[4-[[4-[2-[1-[4-(8-cyanoquinolin-5-yl)oxycyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide.

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

The canonical SMILES for 5-[4-[[4-[2-[1-[4-(8-cyanoquinolin-5-yl)oxycyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide is N#Cc1ccc(OC2CCC(N3C(=O)CCC(N4C(=O)c5cc(F)c(N6CCN(CC7CCN(c8cnc(C(N)=O)cn8)CC7)CC6)cc5C4=O)C3=O)CC2)c2cccnc12.

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

The InChIKey is PMTUBQOMWPAEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45FN10O6/c45-33-20-31-32(21-36(33)52-18-16-51(17-19-52)25-26-11-14-53(15-12-26)38-24-49-34(23-50-38)41(47)57)43(59)55(42(31)58)35-8-10-39(56)54(44(35)60)28-4-6-29(7-5-28)61-37-9-3-27(22-46)40-30(37)2-1-13-48-40/h1-3,9,13,20-21,23-24,26,28-29,35H,4-8,10-12,14-19,25H2,(H2,47,57).

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

5-[4-[[4-[2-[1-[4-(8-cyanoquinolin-5-yl)oxycyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 828.91 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[4-[2-[1-[4-(8-cyanoquinolin-5-yl)oxycyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 156663271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).