6-[3-[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide

C41H46ClN7O5 — CID 140860711

About 6-[3-[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide

6-[3-[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide (PubChem CID 140860711) has the molecular formula C41H46ClN7O5 and a molecular weight of 752.32 g/mol. Its IUPAC name is 6-[3-[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide
• PubChem CID: 140860711
• Molecular Formula: C41H46ClN7O5
• Molecular Weight: 752.32 g/mol
• Exact Mass: 751.32
• IUPAC Name: 6-[3-[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide
• SMILES: CC1(C)C(Oc2ccc(C#N)c(Cl)c2)C(C)(C)C1N1C(=O)CCC(N2Cc3cc(N4CCN(CCCc5ccc(C(N)=O)cn5)CC4)ccc3C2=O)C1=O
• InChI: InChI=1S/C41H46ClN7O5/c1-40(2)38(41(3,4)39(40)54-30-11-8-25(22-43)32(42)21-30)49-34(50)14-13-33(37(49)53)48-24-27-20-29(10-12-31(27)36(48)52)47-18-16-46(17-19-47)15-5-6-28-9-7-26(23-45-28)35(44)51/h7-12,20-21,23,33,38-39H,5-6,13-19,24H2,1-4H3,(H2,44,51)
• InChIKey: MPANHYDVIHVMPX-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 153.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	752.32
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide?

The IUPAC name of 6-[3-[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide (CID 140860711) is 6-[3-[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[3-[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[3-[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide is CC1(C)C(Oc2ccc(C#N)c(Cl)c2)C(C)(C)C1N1C(=O)CCC(N2Cc3cc(N4CCN(CCCc5ccc(C(N)=O)cn5)CC4)ccc3C2=O)C1=O.

What is the InChIKey of 6-[3-[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide?

The InChIKey is MPANHYDVIHVMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46ClN7O5/c1-40(2)38(41(3,4)39(40)54-30-11-8-25(22-43)32(42)21-30)49-34(50)14-13-33(37(49)53)48-24-27-20-29(10-12-31(27)36(48)52)47-18-16-46(17-19-47)15-5-6-28-9-7-26(23-45-28)35(44)51/h7-12,20-21,23,33,38-39H,5-6,13-19,24H2,1-4H3,(H2,44,51).

What are the key properties of 6-[3-[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide?

6-[3-[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide has a molecular weight of 752.32 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[4-[2-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 140860711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).