N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]pyrrolidin-3-yl]pyrazole-4-carboxamide

C41H46ClN7O7 — CID 175099291

About N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]pyrrolidin-3-yl]pyrazole-4-carboxamide

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]pyrrolidin-3-yl]pyrazole-4-carboxamide (PubChem CID 175099291) has the molecular formula C41H46ClN7O7 and a molecular weight of 784.31 g/mol. Its IUPAC name is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]pyrrolidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
• PubChem CID: 175099291
• Molecular Formula: C41H46ClN7O7
• Molecular Weight: 784.31 g/mol
• Exact Mass: 783.31
• IUPAC Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
• SMILES: CC1(C)C(NC(=O)c2cnn(C3CCN(CCCCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)c2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1
• InChI: InChI=1S/C41H46ClN7O7/c1-40(2)38(41(3,4)39(40)56-28-9-8-24(20-43)31(42)19-28)46-34(51)25-21-44-48(22-25)26-14-16-47(23-26)15-6-5-7-17-55-27-10-11-29-30(18-27)37(54)49(36(29)53)32-12-13-33(50)45-35(32)52/h8-11,18-19,21-22,26,32,38-39H,5-7,12-17,23H2,1-4H3,(H,46,51)(H,45,50,52)
• InChIKey: WBCZLVOCVUTNED-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 175.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.31
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]pyrrolidin-3-yl]pyrazole-4-carboxamide?

The IUPAC name of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]pyrrolidin-3-yl]pyrazole-4-carboxamide (CID 175099291) is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]pyrrolidin-3-yl]pyrazole-4-carboxamide.

What is the SMILES notation for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]pyrrolidin-3-yl]pyrazole-4-carboxamide?

The canonical SMILES for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]pyrrolidin-3-yl]pyrazole-4-carboxamide is CC1(C)C(NC(=O)c2cnn(C3CCN(CCCCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)c2)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]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]pyrrolidin-3-yl]pyrazole-4-carboxamide?

The InChIKey is WBCZLVOCVUTNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46ClN7O7/c1-40(2)38(41(3,4)39(40)56-28-9-8-24(20-43)31(42)19-28)46-34(51)25-21-44-48(22-25)26-14-16-47(23-26)15-6-5-7-17-55-27-10-11-29-30(18-27)37(54)49(36(29)53)32-12-13-33(50)45-35(32)52/h8-11,18-19,21-22,26,32,38-39H,5-7,12-17,23H2,1-4H3,(H,46,51)(H,45,50,52).

What are the key properties of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]pyrrolidin-3-yl]pyrazole-4-carboxamide?

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]pyrrolidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 784.31 g/mol, XLogP of 4.92, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]pyrrolidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 175099291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).