N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[3-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxospiro[3H-furo[3,2-f]isoindole-2,4'-piperidine]-1'-yl]azetidin-1-yl]pyridazine-3-carboxamide

C40H39ClN8O7 — CID 177120338

About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[3-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxospiro[3H-furo[3,2-f]isoindole-2,4'-piperidine]-1'-yl]azetidin-1-yl]pyridazine-3-carboxamide

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[3-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxospiro[3H-furo[3,2-f]isoindole-2,4'-piperidine]-1'-yl]azetidin-1-yl]pyridazine-3-carboxamide (PubChem CID 177120338) has the molecular formula C40H39ClN8O7 and a molecular weight of 779.25 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[3-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxospiro[3H-furo[3,2-f]isoindole-2,4'-piperidine]-1'-yl]azetidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[3-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxospiro[3H-furo[3,2-f]isoindole-2,4'-piperidine]-1'-yl]azetidin-1-yl]pyridazine-3-carboxamide
• PubChem CID: 177120338
• Molecular Formula: C40H39ClN8O7
• Molecular Weight: 779.25 g/mol
• Exact Mass: 778.26
• IUPAC Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[3-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxospiro[3H-furo[3,2-f]isoindole-2,4'-piperidine]-1'-yl]azetidin-1-yl]pyridazine-3-carboxamide
• SMILES: N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CC(N5CCC6(CC5)Cc5cc7c(cc5O6)C(=O)N(C5CCC(=O)NC5=O)C7=O)C4)nn3)CC2)cc1Cl
• InChI: InChI=1S/C40H39ClN8O7/c41-30-16-27(4-1-22(30)19-42)55-26-5-2-24(3-6-26)43-36(51)31-7-9-34(46-45-31)48-20-25(21-48)47-13-11-40(12-14-47)18-23-15-28-29(17-33(23)56-40)39(54)49(38(28)53)32-8-10-35(50)44-37(32)52/h1,4,7,9,15-17,24-26,32H,2-3,5-6,8,10-14,18,20-21H2,(H,43,51)(H,44,50,52)
• InChIKey: OPXHHIWBATYCCM-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 187.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.25
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[3-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxospiro[3H-furo[3,2-f]isoindole-2,4'-piperidine]-1'-yl]azetidin-1-yl]pyridazine-3-carboxamide?

The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[3-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxospiro[3H-furo[3,2-f]isoindole-2,4'-piperidine]-1'-yl]azetidin-1-yl]pyridazine-3-carboxamide (CID 177120338) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[3-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxospiro[3H-furo[3,2-f]isoindole-2,4'-piperidine]-1'-yl]azetidin-1-yl]pyridazine-3-carboxamide.

What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[3-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxospiro[3H-furo[3,2-f]isoindole-2,4'-piperidine]-1'-yl]azetidin-1-yl]pyridazine-3-carboxamide?

The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[3-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxospiro[3H-furo[3,2-f]isoindole-2,4'-piperidine]-1'-yl]azetidin-1-yl]pyridazine-3-carboxamide is N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CC(N5CCC6(CC5)Cc5cc7c(cc5O6)C(=O)N(C5CCC(=O)NC5=O)C7=O)C4)nn3)CC2)cc1Cl.

What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[3-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxospiro[3H-furo[3,2-f]isoindole-2,4'-piperidine]-1'-yl]azetidin-1-yl]pyridazine-3-carboxamide?

The InChIKey is OPXHHIWBATYCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39ClN8O7/c41-30-16-27(4-1-22(30)19-42)55-26-5-2-24(3-6-26)43-36(51)31-7-9-34(46-45-31)48-20-25(21-48)47-13-11-40(12-14-47)18-23-15-28-29(17-33(23)56-40)39(54)49(38(28)53)32-8-10-35(50)44-37(32)52/h1,4,7,9,15-17,24-26,32H,2-3,5-6,8,10-14,18,20-21H2,(H,43,51)(H,44,50,52).

What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[3-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxospiro[3H-furo[3,2-f]isoindole-2,4'-piperidine]-1'-yl]azetidin-1-yl]pyridazine-3-carboxamide?

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[3-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxospiro[3H-furo[3,2-f]isoindole-2,4'-piperidine]-1'-yl]azetidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 779.25 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[3-[6-(2,6-dioxopiperidin-3-yl)-5,7-dioxospiro[3H-furo[3,2-f]isoindole-2,4'-piperidine]-1'-yl]azetidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 177120338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).