5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide

C24H24N4O5S — CID 20746035

About 5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide

5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide (PubChem CID 20746035) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is 5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
• PubChem CID: 20746035
• Molecular Formula: C24H24N4O5S
• Molecular Weight: 480.55 g/mol
• Exact Mass: 480.15
• IUPAC Name: 5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
• SMILES: CNC(=O)n1c(C)cc2cc(Oc3ccnc4cc(C(=O)N5CC(O)C(OC)C5)sc34)ccc21
• InChI: InChI=1S/C24H24N4O5S/c1-13-8-14-9-15(4-5-17(14)28(13)24(31)25-2)33-19-6-7-26-16-10-21(34-22(16)19)23(30)27-11-18(29)20(12-27)32-3/h4-10,18,20,29H,11-12H2,1-3H3,(H,25,31)
• InChIKey: JCMMZWWWGAPITL-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 105.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.55
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?

The IUPAC name of 5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide (CID 20746035) is 5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide.

What is the SMILES notation for 5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?

The canonical SMILES for 5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide is CNC(=O)n1c(C)cc2cc(Oc3ccnc4cc(C(=O)N5CC(O)C(OC)C5)sc34)ccc21.

What is the InChIKey of 5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?

The InChIKey is JCMMZWWWGAPITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-13-8-14-9-15(4-5-17(14)28(13)24(31)25-2)33-19-6-7-26-16-10-21(34-22(16)19)23(30)27-11-18(29)20(12-27)32-3/h4-10,18,20,29H,11-12H2,1-3H3,(H,25,31).

What are the key properties of 5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?

5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide is sourced from PubChem (CID 20746035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).