ethyl 6-butoxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylate;6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid;methane

C50H48N8O8S2 — CID 165007544

About ethyl 6-butoxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylate;6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid;methane

ethyl 6-butoxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylate;6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid;methane (PubChem CID 165007544) has the molecular formula C50H48N8O8S2 and a molecular weight of 953.12 g/mol. Its IUPAC name is ethyl 6-butoxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylate;6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid;methane.

Molecular Properties

• Compound Name: ethyl 6-butoxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylate;6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid;methane
• PubChem CID: 165007544
• Molecular Formula: C50H48N8O8S2
• Molecular Weight: 953.12 g/mol
• Exact Mass: 952.30
• IUPAC Name: ethyl 6-butoxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylate;6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid;methane
• SMILES: C.C.CCCCOc1c(C(=O)OCC)c2sccc2n(Cc2cnc3c(-c4ccncc4)cccn23)c1=O.O=C(O)c1c(O)c(=O)n(Cc2cnc3c(-c4ccncc4)cccn23)c2ccsc12
• InChI: InChI=1S/C27H26N4O4S.C21H14N4O4S.2CH4/c1-3-5-14-35-23-22(27(33)34-4-2)24-21(10-15-36-24)31(26(23)32)17-19-16-29-25-20(7-6-13-30(19)25)18-8-11-28-12-9-18;26-17-16(21(28)29)18-15(5-9-30-18)25(20(17)27)11-13-10-23-19-14(2-1-8-24(13)19)12-3-6-22-7-4-12;;/h6-13,15-16H,3-5,14,17H2,1-2H3;1-10,26H,11H2,(H,28,29);2*1H4
• InChIKey: JESQKOKIILKHNV-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 197.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	953.12
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 6-butoxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylate;6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid;methane?

The IUPAC name of ethyl 6-butoxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylate;6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid;methane (CID 165007544) is ethyl 6-butoxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylate;6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid;methane.

What is the SMILES notation for ethyl 6-butoxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylate;6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid;methane?

The canonical SMILES for ethyl 6-butoxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylate;6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid;methane is C.C.CCCCOc1c(C(=O)OCC)c2sccc2n(Cc2cnc3c(-c4ccncc4)cccn23)c1=O.O=C(O)c1c(O)c(=O)n(Cc2cnc3c(-c4ccncc4)cccn23)c2ccsc12.

What is the InChIKey of ethyl 6-butoxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylate;6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid;methane?

The InChIKey is JESQKOKIILKHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4S.C21H14N4O4S.2CH4/c1-3-5-14-35-23-22(27(33)34-4-2)24-21(10-15-36-24)31(26(23)32)17-19-16-29-25-20(7-6-13-30(19)25)18-8-11-28-12-9-18;26-17-16(21(28)29)18-15(5-9-30-18)25(20(17)27)11-13-10-23-19-14(2-1-8-24(13)19)12-3-6-22-7-4-12;;/h6-13,15-16H,3-5,14,17H2,1-2H3;1-10,26H,11H2,(H,28,29);2*1H4.

What are the key properties of ethyl 6-butoxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylate;6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid;methane?

ethyl 6-butoxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylate;6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid;methane has a molecular weight of 953.12 g/mol, XLogP of 9.67, 13 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-butoxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylate;6-hydroxy-5-oxo-4-[(8-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methyl]thieno[3,2-b]pyridine-7-carboxylic acid;methane is sourced from PubChem (CID 165007544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).