N-[7-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-5-methyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboxamide

C37H34F3N5O5S — CID 154671441

About N-[7-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-5-methyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboxamide

N-[7-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-5-methyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 154671441) has the molecular formula C37H34F3N5O5S and a molecular weight of 717.77 g/mol. Its IUPAC name is N-[7-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-5-methyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[7-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-5-methyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboxamide
• PubChem CID: 154671441
• Molecular Formula: C37H34F3N5O5S
• Molecular Weight: 717.77 g/mol
• Exact Mass: 717.22
• IUPAC Name: N-[7-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-5-methyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboxamide
• SMILES: Cn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)NC3CC4(CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6)CC4)C3)cc2c1=O
• InChI: InChI=1S/C37H34F3N5O5S/c1-43-19-27(20-3-2-4-22(13-20)37(38,39)40)31-26(34(43)49)15-29(51-31)33(48)41-23-16-36(17-23)9-11-44(12-10-36)24-6-5-21-18-45(35(50)25(21)14-24)28-7-8-30(46)42-32(28)47/h2-6,13-15,19,23,28H,7-12,16-18H2,1H3,(H,41,48)(H,42,46,47)
• InChIKey: NCJIIQSQBCTDDH-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 120.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.77
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[7-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-5-methyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboxamide?

The IUPAC name of N-[7-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-5-methyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboxamide (CID 154671441) is N-[7-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-5-methyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[7-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-5-methyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for N-[7-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-5-methyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboxamide is Cn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)NC3CC4(CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6)CC4)C3)cc2c1=O.

What is the InChIKey of N-[7-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-5-methyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboxamide?

The InChIKey is NCJIIQSQBCTDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34F3N5O5S/c1-43-19-27(20-3-2-4-22(13-20)37(38,39)40)31-26(34(43)49)15-29(51-31)33(48)41-23-16-36(17-23)9-11-44(12-10-36)24-6-5-21-18-45(35(50)25(21)14-24)28-7-8-30(46)42-32(28)47/h2-6,13-15,19,23,28H,7-12,16-18H2,1H3,(H,41,48)(H,42,46,47).

What are the key properties of N-[7-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-5-methyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboxamide?

N-[7-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-5-methyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 717.77 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-5-methyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 154671441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).