N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[7-(2,6-dioxopiperidin-3-yl)-6,8-dioxospiro[3,4-dihydropyrano[3,2-f]isoindole-2,4'-piperidine]-1'-yl]-7-azaspiro[3.5]nonan-7-yl]pyridazine-3-carboxamide

C46H49ClN8O7 — CID 177120207

About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[7-(2,6-dioxopiperidin-3-yl)-6,8-dioxospiro[3,4-dihydropyrano[3,2-f]isoindole-2,4'-piperidine]-1'-yl]-7-azaspiro[3.5]nonan-7-yl]pyridazine-3-carboxamide

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[7-(2,6-dioxopiperidin-3-yl)-6,8-dioxospiro[3,4-dihydropyrano[3,2-f]isoindole-2,4'-piperidine]-1'-yl]-7-azaspiro[3.5]nonan-7-yl]pyridazine-3-carboxamide (PubChem CID 177120207) has the molecular formula C46H49ClN8O7 and a molecular weight of 861.40 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[7-(2,6-dioxopiperidin-3-yl)-6,8-dioxospiro[3,4-dihydropyrano[3,2-f]isoindole-2,4'-piperidine]-1'-yl]-7-azaspiro[3.5]nonan-7-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[7-(2,6-dioxopiperidin-3-yl)-6,8-dioxospiro[3,4-dihydropyrano[3,2-f]isoindole-2,4'-piperidine]-1'-yl]-7-azaspiro[3.5]nonan-7-yl]pyridazine-3-carboxamide
• PubChem CID: 177120207
• Molecular Formula: C46H49ClN8O7
• Molecular Weight: 861.40 g/mol
• Exact Mass: 860.34
• IUPAC Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[7-(2,6-dioxopiperidin-3-yl)-6,8-dioxospiro[3,4-dihydropyrano[3,2-f]isoindole-2,4'-piperidine]-1'-yl]-7-azaspiro[3.5]nonan-7-yl]pyridazine-3-carboxamide
• SMILES: N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCC5(CC4)CC(N4CCC6(CCc7cc8c(cc7O6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC4)C5)nn3)CC2)cc1Cl
• InChI: InChI=1S/C46H49ClN8O7/c47-35-22-32(4-1-28(35)26-48)61-31-5-2-29(3-6-31)49-41(57)36-7-9-39(52-51-36)54-17-13-45(14-18-54)24-30(25-45)53-19-15-46(16-20-53)12-11-27-21-33-34(23-38(27)62-46)44(60)55(43(33)59)37-8-10-40(56)50-42(37)58/h1,4,7,9,21-23,29-31,37H,2-3,5-6,8,10-20,24-25H2,(H,49,57)(H,50,56,58)
• InChIKey: LGVSACVKMJGNDF-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 187.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	861.40
LogP ≤ 5	5.13
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-[2-[7-(2,6-dioxopiperidin-3-yl)-6,8-dioxospiro[3,4-dihydropyrano[3,2-f]isoindole-2,4'-piperidine]-1'-yl]-7-azaspiro[3.5]nonan-7-yl]pyridazine-3-carboxamide?

The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[7-(2,6-dioxopiperidin-3-yl)-6,8-dioxospiro[3,4-dihydropyrano[3,2-f]isoindole-2,4'-piperidine]-1'-yl]-7-azaspiro[3.5]nonan-7-yl]pyridazine-3-carboxamide (CID 177120207) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[7-(2,6-dioxopiperidin-3-yl)-6,8-dioxospiro[3,4-dihydropyrano[3,2-f]isoindole-2,4'-piperidine]-1'-yl]-7-azaspiro[3.5]nonan-7-yl]pyridazine-3-carboxamide.

What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[7-(2,6-dioxopiperidin-3-yl)-6,8-dioxospiro[3,4-dihydropyrano[3,2-f]isoindole-2,4'-piperidine]-1'-yl]-7-azaspiro[3.5]nonan-7-yl]pyridazine-3-carboxamide?

The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[7-(2,6-dioxopiperidin-3-yl)-6,8-dioxospiro[3,4-dihydropyrano[3,2-f]isoindole-2,4'-piperidine]-1'-yl]-7-azaspiro[3.5]nonan-7-yl]pyridazine-3-carboxamide is N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCC5(CC4)CC(N4CCC6(CCc7cc8c(cc7O6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC4)C5)nn3)CC2)cc1Cl.

What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[7-(2,6-dioxopiperidin-3-yl)-6,8-dioxospiro[3,4-dihydropyrano[3,2-f]isoindole-2,4'-piperidine]-1'-yl]-7-azaspiro[3.5]nonan-7-yl]pyridazine-3-carboxamide?

The InChIKey is LGVSACVKMJGNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H49ClN8O7/c47-35-22-32(4-1-28(35)26-48)61-31-5-2-29(3-6-31)49-41(57)36-7-9-39(52-51-36)54-17-13-45(14-18-54)24-30(25-45)53-19-15-46(16-20-53)12-11-27-21-33-34(23-38(27)62-46)44(60)55(43(33)59)37-8-10-40(56)50-42(37)58/h1,4,7,9,21-23,29-31,37H,2-3,5-6,8,10-20,24-25H2,(H,49,57)(H,50,56,58).

What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[7-(2,6-dioxopiperidin-3-yl)-6,8-dioxospiro[3,4-dihydropyrano[3,2-f]isoindole-2,4'-piperidine]-1'-yl]-7-azaspiro[3.5]nonan-7-yl]pyridazine-3-carboxamide?

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[7-(2,6-dioxopiperidin-3-yl)-6,8-dioxospiro[3,4-dihydropyrano[3,2-f]isoindole-2,4'-piperidine]-1'-yl]-7-azaspiro[3.5]nonan-7-yl]pyridazine-3-carboxamide has a molecular weight of 861.40 g/mol, XLogP of 5.13, 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-[2-[7-(2,6-dioxopiperidin-3-yl)-6,8-dioxospiro[3,4-dihydropyrano[3,2-f]isoindole-2,4'-piperidine]-1'-yl]-7-azaspiro[3.5]nonan-7-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 177120207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).