N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide

C44H49ClFN9O6 — CID 134413832

About N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 134413832) has the molecular formula C44H49ClFN9O6 and a molecular weight of 854.38 g/mol. Its IUPAC name is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide
• PubChem CID: 134413832
• Molecular Formula: C44H49ClFN9O6
• Molecular Weight: 854.38 g/mol
• Exact Mass: 853.35
• IUPAC Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide
• SMILES: CC1(C)C(NC(=O)c2ccc(N3CCC(CCN4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)nn2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1
• InChI: InChI=1S/C44H49ClFN9O6/c1-43(2)41(44(3,4)42(43)61-27-6-5-26(24-47)30(45)21-27)49-37(57)32-7-9-35(51-50-32)54-15-12-25(13-16-54)11-14-52-17-19-53(20-18-52)34-23-29-28(22-31(34)46)39(59)55(40(29)60)33-8-10-36(56)48-38(33)58/h5-7,9,21-23,25,33,41-42H,8,10-20H2,1-4H3,(H,49,57)(H,48,56,58)
• InChIKey: IUWUOFIFIDABNL-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 181.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.38
LogP ≤ 5	4.58
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-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide?

The IUPAC name of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide (CID 134413832) is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide.

What is the SMILES notation for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide?

The canonical SMILES for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide is CC1(C)C(NC(=O)c2ccc(N3CCC(CCN4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)nn2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1.

What is the InChIKey of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide?

The InChIKey is IUWUOFIFIDABNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H49ClFN9O6/c1-43(2)41(44(3,4)42(43)61-27-6-5-26(24-47)30(45)21-27)49-37(57)32-7-9-35(51-50-32)54-15-12-25(13-16-54)11-14-52-17-19-53(20-18-52)34-23-29-28(22-31(34)46)39(59)55(40(29)60)33-8-10-36(56)48-38(33)58/h5-7,9,21-23,25,33,41-42H,8,10-20H2,1-4H3,(H,49,57)(H,48,56,58).

What are the key properties of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide?

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 854.38 g/mol, XLogP of 4.58, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 134413832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).