N-(4-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide

C36H33N7O5 — CID 167459918

About N-(4-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide

N-(4-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide (PubChem CID 167459918) has the molecular formula C36H33N7O5 and a molecular weight of 643.70 g/mol. Its IUPAC name is N-(4-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-(4-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide
• PubChem CID: 167459918
• Molecular Formula: C36H33N7O5
• Molecular Weight: 643.70 g/mol
• Exact Mass: 643.25
• IUPAC Name: N-(4-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide
• SMILES: CC(C)(C(=O)Nc1ccc(C#N)c2c1CCCC2)n1cc(C#CC2CN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)cn1
• InChI: InChI=1S/C36H33N7O5/c1-36(2,35(48)39-29-12-9-23(16-37)25-5-3-4-6-26(25)29)42-20-21(17-38-42)7-8-22-18-41(19-22)24-10-11-27-28(15-24)34(47)43(33(27)46)30-13-14-31(44)40-32(30)45/h9-12,15,17,20,22,30H,3-6,13-14,18-19H2,1-2H3,(H,39,48)(H,40,44,45)
• InChIKey: DBELFTHLKBNWQX-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 157.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	643.70
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide?

The IUPAC name of N-(4-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide (CID 167459918) is N-(4-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide.

What is the SMILES notation for N-(4-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide?

The canonical SMILES for N-(4-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(C#N)c2c1CCCC2)n1cc(C#CC2CN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)cn1.

What is the InChIKey of N-(4-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide?

The InChIKey is DBELFTHLKBNWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N7O5/c1-36(2,35(48)39-29-12-9-23(16-37)25-5-3-4-6-26(25)29)42-20-21(17-38-42)7-8-22-18-41(19-22)24-10-11-27-28(15-24)34(47)43(33(27)46)30-13-14-31(44)40-32(30)45/h9-12,15,17,20,22,30H,3-6,13-14,18-19H2,1-2H3,(H,39,48)(H,40,44,45).

What are the key properties of N-(4-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide?

N-(4-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide has a molecular weight of 643.70 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-cyano-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethynyl]pyrazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 167459918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).