1-[[7-[6-chloro-4-methyl-3-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)amino]-2-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3,3,4-trimethylpyrrolidine-2,5-dione

C28H32ClN5O2S — CID 170036350

About 1-[[7-[6-chloro-4-methyl-3-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)amino]-2-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3,3,4-trimethylpyrrolidine-2,5-dione

1-[[7-[6-chloro-4-methyl-3-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)amino]-2-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3,3,4-trimethylpyrrolidine-2,5-dione (PubChem CID 170036350) has the molecular formula C28H32ClN5O2S and a molecular weight of 538.12 g/mol. Its IUPAC name is 1-[[7-[6-chloro-4-methyl-3-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)amino]-2-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3,3,4-trimethylpyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[[7-[6-chloro-4-methyl-3-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)amino]-2-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3,3,4-trimethylpyrrolidine-2,5-dione
• PubChem CID: 170036350
• Molecular Formula: C28H32ClN5O2S
• Molecular Weight: 538.12 g/mol
• Exact Mass: 537.20
• IUPAC Name: 1-[[7-[6-chloro-4-methyl-3-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)amino]-2-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3,3,4-trimethylpyrrolidine-2,5-dione
• SMILES: Cc1cc(Cl)nc(-c2ccnc3cc(CN4C(=O)C(C)C(C)(C)C4=O)sc23)c1NC1CC2(C1)CN(C)C2
• InChI: InChI=1S/C28H32ClN5O2S/c1-15-8-21(29)32-23(22(15)31-17-10-28(11-17)13-33(5)14-28)19-6-7-30-20-9-18(37-24(19)20)12-34-25(35)16(2)27(3,4)26(34)36/h6-9,16-17,31H,10-14H2,1-5H3
• InChIKey: CLIJIZSSYMLRKT-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.12
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[7-[6-chloro-4-methyl-3-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)amino]-2-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3,3,4-trimethylpyrrolidine-2,5-dione?

The IUPAC name of 1-[[7-[6-chloro-4-methyl-3-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)amino]-2-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3,3,4-trimethylpyrrolidine-2,5-dione (CID 170036350) is 1-[[7-[6-chloro-4-methyl-3-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)amino]-2-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3,3,4-trimethylpyrrolidine-2,5-dione.

What is the SMILES notation for 1-[[7-[6-chloro-4-methyl-3-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)amino]-2-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3,3,4-trimethylpyrrolidine-2,5-dione?

The canonical SMILES for 1-[[7-[6-chloro-4-methyl-3-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)amino]-2-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3,3,4-trimethylpyrrolidine-2,5-dione is Cc1cc(Cl)nc(-c2ccnc3cc(CN4C(=O)C(C)C(C)(C)C4=O)sc23)c1NC1CC2(C1)CN(C)C2.

What is the InChIKey of 1-[[7-[6-chloro-4-methyl-3-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)amino]-2-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3,3,4-trimethylpyrrolidine-2,5-dione?

The InChIKey is CLIJIZSSYMLRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5O2S/c1-15-8-21(29)32-23(22(15)31-17-10-28(11-17)13-33(5)14-28)19-6-7-30-20-9-18(37-24(19)20)12-34-25(35)16(2)27(3,4)26(34)36/h6-9,16-17,31H,10-14H2,1-5H3.

What are the key properties of 1-[[7-[6-chloro-4-methyl-3-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)amino]-2-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3,3,4-trimethylpyrrolidine-2,5-dione?

1-[[7-[6-chloro-4-methyl-3-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)amino]-2-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3,3,4-trimethylpyrrolidine-2,5-dione has a molecular weight of 538.12 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[7-[6-chloro-4-methyl-3-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)amino]-2-pyridinyl]thieno[3,2-b]pyridin-2-yl]methyl]-3,3,4-trimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 170036350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).