5-[6-[4-[4-[8-[3,5-difluoro-4-(morpholin-2-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C46H46F2N8O7 — CID 175192836

About 5-[6-[4-[4-[8-[3,5-difluoro-4-(morpholin-2-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[6-[4-[4-[8-[3,5-difluoro-4-(morpholin-2-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 175192836) has the molecular formula C46H46F2N8O7 and a molecular weight of 860.92 g/mol. Its IUPAC name is 5-[6-[4-[4-[8-[3,5-difluoro-4-(morpholin-2-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[6-[4-[4-[8-[3,5-difluoro-4-(morpholin-2-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 175192836
• Molecular Formula: C46H46F2N8O7
• Molecular Weight: 860.92 g/mol
• Exact Mass: 860.35
• IUPAC Name: 5-[6-[4-[4-[8-[3,5-difluoro-4-(morpholin-2-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(OCCCCCC(=O)N4CCC(n5cc(-c6cnc7cccc(-c8cc(F)c(CC9CNCCO9)c(F)c8)c7n6)cn5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C46H46F2N8O7/c47-36-19-27(20-37(48)35(36)22-31-24-49-14-18-63-31)32-5-4-6-38-43(32)52-39(25-50-38)28-23-51-55(26-28)29-12-15-54(16-13-29)42(58)7-2-1-3-17-62-30-8-9-33-34(21-30)46(61)56(45(33)60)40-10-11-41(57)53-44(40)59/h4-6,8-9,19-21,23,25-26,29,31,40,49H,1-3,7,10-18,22,24H2,(H,53,57,59)
• InChIKey: UJSRVCJECSTWRJ-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 177.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	860.92
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[4-[8-[3,5-difluoro-4-(morpholin-2-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[6-[4-[4-[8-[3,5-difluoro-4-(morpholin-2-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 175192836) is 5-[6-[4-[4-[8-[3,5-difluoro-4-(morpholin-2-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[6-[4-[4-[8-[3,5-difluoro-4-(morpholin-2-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[6-[4-[4-[8-[3,5-difluoro-4-(morpholin-2-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(OCCCCCC(=O)N4CCC(n5cc(-c6cnc7cccc(-c8cc(F)c(CC9CNCCO9)c(F)c8)c7n6)cn5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 5-[6-[4-[4-[8-[3,5-difluoro-4-(morpholin-2-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is UJSRVCJECSTWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46F2N8O7/c47-36-19-27(20-37(48)35(36)22-31-24-49-14-18-63-31)32-5-4-6-38-43(32)52-39(25-50-38)28-23-51-55(26-28)29-12-15-54(16-13-29)42(58)7-2-1-3-17-62-30-8-9-33-34(21-30)46(61)56(45(33)60)40-10-11-41(57)53-44(40)59/h4-6,8-9,19-21,23,25-26,29,31,40,49H,1-3,7,10-18,22,24H2,(H,53,57,59).

What are the key properties of 5-[6-[4-[4-[8-[3,5-difluoro-4-(morpholin-2-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[6-[4-[4-[8-[3,5-difluoro-4-(morpholin-2-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 860.92 g/mol, XLogP of 5.17, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[4-[4-[8-[3,5-difluoro-4-(morpholin-2-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 175192836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).