N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[3-[4-[1,3-dioxo-2-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-9-yl)isoindol-5-yl]piperazin-1-yl]propyl]pyridine-2-carboxamide

C43H48ClN7O6 — CID 135261742

About N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[3-[4-[1,3-dioxo-2-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-9-yl)isoindol-5-yl]piperazin-1-yl]propyl]pyridine-2-carboxamide

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[3-[4-[1,3-dioxo-2-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-9-yl)isoindol-5-yl]piperazin-1-yl]propyl]pyridine-2-carboxamide (PubChem CID 135261742) has the molecular formula C43H48ClN7O6 and a molecular weight of 794.35 g/mol. Its IUPAC name is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[3-[4-[1,3-dioxo-2-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-9-yl)isoindol-5-yl]piperazin-1-yl]propyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[3-[4-[1,3-dioxo-2-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-9-yl)isoindol-5-yl]piperazin-1-yl]propyl]pyridine-2-carboxamide
• PubChem CID: 135261742
• Molecular Formula: C43H48ClN7O6
• Molecular Weight: 794.35 g/mol
• Exact Mass: 793.34
• IUPAC Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[3-[4-[1,3-dioxo-2-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-9-yl)isoindol-5-yl]piperazin-1-yl]propyl]pyridine-2-carboxamide
• SMILES: CC1(C)C(NC(=O)c2ccc(CCCN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC46COC6)C5=O)CC3)cn2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1
• InChI: InChI=1S/C43H48ClN7O6/c1-41(2)39(42(3,4)40(41)57-29-10-8-27(22-45)32(44)21-29)47-36(53)33-12-7-26(23-46-33)6-5-15-49-16-18-50(19-17-49)28-9-11-30-31(20-28)38(55)51(37(30)54)34-13-14-35(52)48-43(34)24-56-25-43/h7-12,20-21,23,34,39-40H,5-6,13-19,24-25H2,1-4H3,(H,47,53)(H,48,52)
• InChIKey: GFNQVFGDJCTHMY-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 157.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	794.35
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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]-5-[3-[4-[1,3-dioxo-2-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-9-yl)isoindol-5-yl]piperazin-1-yl]propyl]pyridine-2-carboxamide?

The IUPAC name of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[3-[4-[1,3-dioxo-2-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-9-yl)isoindol-5-yl]piperazin-1-yl]propyl]pyridine-2-carboxamide (CID 135261742) is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[3-[4-[1,3-dioxo-2-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-9-yl)isoindol-5-yl]piperazin-1-yl]propyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[3-[4-[1,3-dioxo-2-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-9-yl)isoindol-5-yl]piperazin-1-yl]propyl]pyridine-2-carboxamide?

The canonical SMILES for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[3-[4-[1,3-dioxo-2-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-9-yl)isoindol-5-yl]piperazin-1-yl]propyl]pyridine-2-carboxamide is CC1(C)C(NC(=O)c2ccc(CCCN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC46COC6)C5=O)CC3)cn2)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]-5-[3-[4-[1,3-dioxo-2-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-9-yl)isoindol-5-yl]piperazin-1-yl]propyl]pyridine-2-carboxamide?

The InChIKey is GFNQVFGDJCTHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48ClN7O6/c1-41(2)39(42(3,4)40(41)57-29-10-8-27(22-45)32(44)21-29)47-36(53)33-12-7-26(23-46-33)6-5-15-49-16-18-50(19-17-49)28-9-11-30-31(20-28)38(55)51(37(30)54)34-13-14-35(52)48-43(34)24-56-25-43/h7-12,20-21,23,34,39-40H,5-6,13-19,24-25H2,1-4H3,(H,47,53)(H,48,52).

What are the key properties of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[3-[4-[1,3-dioxo-2-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-9-yl)isoindol-5-yl]piperazin-1-yl]propyl]pyridine-2-carboxamide?

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[3-[4-[1,3-dioxo-2-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-9-yl)isoindol-5-yl]piperazin-1-yl]propyl]pyridine-2-carboxamide has a molecular weight of 794.35 g/mol, XLogP of 4.62, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[3-[4-[1,3-dioxo-2-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-9-yl)isoindol-5-yl]piperazin-1-yl]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 135261742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).