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

C44H48ClF2N9O6 — CID 175097746

About N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-4,6-difluoro-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)-4,6-difluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 175097746) has the molecular formula C44H48ClF2N9O6 and a molecular weight of 872.37 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)-4,6-difluoro-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)-4,6-difluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide
• PubChem CID: 175097746
• Molecular Formula: C44H48ClF2N9O6
• Molecular Weight: 872.37 g/mol
• Exact Mass: 871.34
• IUPAC Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-4,6-difluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide
• SMILES: CC1(C)C(NC(=O)c2ccc(N3CCC(CCN4CCN(c5c(F)cc6c(c5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)nn2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1
• InChI: InChI=1S/C44H48ClF2N9O6/c1-43(2)41(44(3,4)42(43)62-26-6-5-25(23-48)28(45)21-26)50-37(58)30-7-9-32(52-51-30)54-15-12-24(13-16-54)11-14-53-17-19-55(20-18-53)36-29(46)22-27-34(35(36)47)40(61)56(39(27)60)31-8-10-33(57)49-38(31)59/h5-7,9,21-22,24,31,41-42H,8,10-20H2,1-4H3,(H,50,58)(H,49,57,59)
• InChIKey: MSACFSMYCRRKKI-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 181.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.37
LogP ≤ 5	4.72
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)-4,6-difluoro-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)-4,6-difluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide (CID 175097746) is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-4,6-difluoro-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)-4,6-difluoro-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)-4,6-difluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide is CC1(C)C(NC(=O)c2ccc(N3CCC(CCN4CCN(c5c(F)cc6c(c5F)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)-4,6-difluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide?

The InChIKey is MSACFSMYCRRKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48ClF2N9O6/c1-43(2)41(44(3,4)42(43)62-26-6-5-25(23-48)28(45)21-26)50-37(58)30-7-9-32(52-51-30)54-15-12-24(13-16-54)11-14-53-17-19-55(20-18-53)36-29(46)22-27-34(35(36)47)40(61)56(39(27)60)31-8-10-33(57)49-38(31)59/h5-7,9,21-22,24,31,41-42H,8,10-20H2,1-4H3,(H,50,58)(H,49,57,59).

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)-4,6-difluoro-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)-4,6-difluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 872.37 g/mol, XLogP of 4.72, 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)-4,6-difluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 175097746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).