5-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-[5-(1-hydroxyprop-2-enyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thieno[3,2-c]pyridin-4-yl]-1H-pyridin-2-one

C30H27FN4O4S2 — CID 170096242

About 5-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-[5-(1-hydroxyprop-2-enyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thieno[3,2-c]pyridin-4-yl]-1H-pyridin-2-one

5-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-[5-(1-hydroxyprop-2-enyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thieno[3,2-c]pyridin-4-yl]-1H-pyridin-2-one (PubChem CID 170096242) has the molecular formula C30H27FN4O4S2 and a molecular weight of 590.70 g/mol. Its IUPAC name is 5-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-[5-(1-hydroxyprop-2-enyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thieno[3,2-c]pyridin-4-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-[5-(1-hydroxyprop-2-enyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thieno[3,2-c]pyridin-4-yl]-1H-pyridin-2-one
• PubChem CID: 170096242
• Molecular Formula: C30H27FN4O4S2
• Molecular Weight: 590.70 g/mol
• Exact Mass: 590.15
• IUPAC Name: 5-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-[5-(1-hydroxyprop-2-enyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thieno[3,2-c]pyridin-4-yl]-1H-pyridin-2-one
• SMILES: C=CC(O)N1CCc2nc(-c3nc(-c4ccc(=O)[nH]c4)c4ccsc4c3-c3ccc(F)cc3OCCOC)sc2C1
• InChI: InChI=1S/C30H27FN4O4S2/c1-3-25(37)35-10-8-21-23(16-35)41-30(33-21)28-26(19-6-5-18(31)14-22(19)39-12-11-38-2)29-20(9-13-40-29)27(34-28)17-4-7-24(36)32-15-17/h3-7,9,13-15,25,37H,1,8,10-12,16H2,2H3,(H,32,36)
• InChIKey: DIXFUKIBBZVUHC-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 100.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.70
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-[5-(1-hydroxyprop-2-enyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thieno[3,2-c]pyridin-4-yl]-1H-pyridin-2-one?

The IUPAC name of 5-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-[5-(1-hydroxyprop-2-enyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thieno[3,2-c]pyridin-4-yl]-1H-pyridin-2-one (CID 170096242) is 5-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-[5-(1-hydroxyprop-2-enyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thieno[3,2-c]pyridin-4-yl]-1H-pyridin-2-one.

What is the SMILES notation for 5-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-[5-(1-hydroxyprop-2-enyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thieno[3,2-c]pyridin-4-yl]-1H-pyridin-2-one?

The canonical SMILES for 5-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-[5-(1-hydroxyprop-2-enyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thieno[3,2-c]pyridin-4-yl]-1H-pyridin-2-one is C=CC(O)N1CCc2nc(-c3nc(-c4ccc(=O)[nH]c4)c4ccsc4c3-c3ccc(F)cc3OCCOC)sc2C1.

What is the InChIKey of 5-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-[5-(1-hydroxyprop-2-enyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thieno[3,2-c]pyridin-4-yl]-1H-pyridin-2-one?

The InChIKey is DIXFUKIBBZVUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O4S2/c1-3-25(37)35-10-8-21-23(16-35)41-30(33-21)28-26(19-6-5-18(31)14-22(19)39-12-11-38-2)29-20(9-13-40-29)27(34-28)17-4-7-24(36)32-15-17/h3-7,9,13-15,25,37H,1,8,10-12,16H2,2H3,(H,32,36).

What are the key properties of 5-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-[5-(1-hydroxyprop-2-enyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thieno[3,2-c]pyridin-4-yl]-1H-pyridin-2-one?

5-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-[5-(1-hydroxyprop-2-enyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thieno[3,2-c]pyridin-4-yl]-1H-pyridin-2-one has a molecular weight of 590.70 g/mol, XLogP of 5.47, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-[5-(1-hydroxyprop-2-enyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thieno[3,2-c]pyridin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 170096242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).