1-cyclopropyl-8-(3-methoxypropoxy)-2-oxo-9-thiophen-3-yl-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid

C24H23NO5S2 — CID 155727237

About 1-cyclopropyl-8-(3-methoxypropoxy)-2-oxo-9-thiophen-3-yl-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid

1-cyclopropyl-8-(3-methoxypropoxy)-2-oxo-9-thiophen-3-yl-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid (PubChem CID 155727237) has the molecular formula C24H23NO5S2 and a molecular weight of 469.58 g/mol. Its IUPAC name is 1-cyclopropyl-8-(3-methoxypropoxy)-2-oxo-9-thiophen-3-yl-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-cyclopropyl-8-(3-methoxypropoxy)-2-oxo-9-thiophen-3-yl-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid
• PubChem CID: 155727237
• Molecular Formula: C24H23NO5S2
• Molecular Weight: 469.58 g/mol
• Exact Mass: 469.10
• IUPAC Name: 1-cyclopropyl-8-(3-methoxypropoxy)-2-oxo-9-thiophen-3-yl-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid
• SMILES: COCCCOc1cc2c(cc1-c1ccsc1)-c1c(cc(C(=O)O)c(=O)n1C1CC1)CS2
• InChI: InChI=1S/C24H23NO5S2/c1-29-6-2-7-30-20-11-21-18(10-17(20)14-5-8-31-12-14)22-15(13-32-21)9-19(24(27)28)23(26)25(22)16-3-4-16/h5,8-12,16H,2-4,6-7,13H2,1H3,(H,27,28)
• InChIKey: SOIVDRTYSYKFCF-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 77.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.58
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-(3-methoxypropoxy)-2-oxo-9-thiophen-3-yl-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid?

The IUPAC name of 1-cyclopropyl-8-(3-methoxypropoxy)-2-oxo-9-thiophen-3-yl-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid (CID 155727237) is 1-cyclopropyl-8-(3-methoxypropoxy)-2-oxo-9-thiophen-3-yl-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid.

What is the SMILES notation for 1-cyclopropyl-8-(3-methoxypropoxy)-2-oxo-9-thiophen-3-yl-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid?

The canonical SMILES for 1-cyclopropyl-8-(3-methoxypropoxy)-2-oxo-9-thiophen-3-yl-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid is COCCCOc1cc2c(cc1-c1ccsc1)-c1c(cc(C(=O)O)c(=O)n1C1CC1)CS2.

What is the InChIKey of 1-cyclopropyl-8-(3-methoxypropoxy)-2-oxo-9-thiophen-3-yl-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid?

The InChIKey is SOIVDRTYSYKFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5S2/c1-29-6-2-7-30-20-11-21-18(10-17(20)14-5-8-31-12-14)22-15(13-32-21)9-19(24(27)28)23(26)25(22)16-3-4-16/h5,8-12,16H,2-4,6-7,13H2,1H3,(H,27,28).

What are the key properties of 1-cyclopropyl-8-(3-methoxypropoxy)-2-oxo-9-thiophen-3-yl-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid?

1-cyclopropyl-8-(3-methoxypropoxy)-2-oxo-9-thiophen-3-yl-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid has a molecular weight of 469.58 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-8-(3-methoxypropoxy)-2-oxo-9-thiophen-3-yl-5H-thiochromeno[4,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 155727237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).