N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.4]octan-2-yl]pyridazine-3-carboxamide

C43H45ClFN9O6 — CID 155218455

About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.4]octan-2-yl]pyridazine-3-carboxamide

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.4]octan-2-yl]pyridazine-3-carboxamide (PubChem CID 155218455) has the molecular formula C43H45ClFN9O6 and a molecular weight of 838.34 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.4]octan-2-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.4]octan-2-yl]pyridazine-3-carboxamide
• PubChem CID: 155218455
• Molecular Formula: C43H45ClFN9O6
• Molecular Weight: 838.34 g/mol
• Exact Mass: 837.32
• IUPAC Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.4]octan-2-yl]pyridazine-3-carboxamide
• SMILES: N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CC5(CCN(CC6CCN(c7cc8c(cc7F)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)C4)nn3)CC2)cc1Cl
• InChI: InChI=1S/C43H45ClFN9O6/c44-32-17-29(4-1-26(32)20-46)60-28-5-2-27(3-6-28)47-39(56)34-7-9-37(50-49-34)53-23-43(24-53)13-16-51(22-43)21-25-11-14-52(15-12-25)36-19-31-30(18-33(36)45)41(58)54(42(31)59)35-8-10-38(55)48-40(35)57/h1,4,7,9,17-19,25,27-28,35H,2-3,5-6,8,10-16,21-24H2,(H,47,56)(H,48,55,57)
• InChIKey: HMYWXYBGWLIEBD-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 181.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.34
LogP ≤ 5	4.09
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-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.4]octan-2-yl]pyridazine-3-carboxamide?

The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.4]octan-2-yl]pyridazine-3-carboxamide (CID 155218455) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.4]octan-2-yl]pyridazine-3-carboxamide.

What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.4]octan-2-yl]pyridazine-3-carboxamide?

The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.4]octan-2-yl]pyridazine-3-carboxamide is N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CC5(CCN(CC6CCN(c7cc8c(cc7F)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)C4)nn3)CC2)cc1Cl.

What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.4]octan-2-yl]pyridazine-3-carboxamide?

The InChIKey is HMYWXYBGWLIEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45ClFN9O6/c44-32-17-29(4-1-26(32)20-46)60-28-5-2-27(3-6-28)47-39(56)34-7-9-37(50-49-34)53-23-43(24-53)13-16-51(22-43)21-25-11-14-52(15-12-25)36-19-31-30(18-33(36)45)41(58)54(42(31)59)35-8-10-38(55)48-40(35)57/h1,4,7,9,17-19,25,27-28,35H,2-3,5-6,8,10-16,21-24H2,(H,47,56)(H,48,55,57).

What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.4]octan-2-yl]pyridazine-3-carboxamide?

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.4]octan-2-yl]pyridazine-3-carboxamide has a molecular weight of 838.34 g/mol, XLogP of 4.09, 9 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-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.4]octan-2-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 155218455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).