N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-methyl-1,2-oxazole-4-carboxamide

C25H23FN4O3S — CID 24983367

About N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 24983367) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 24983367
• Molecular Formula: C25H23FN4O3S
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.15
• IUPAC Name: N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-methyl-1,2-oxazole-4-carboxamide
• SMILES: CCN(CC)CC#Cc1cc2nccc(Oc3ccc(NC(=O)c4cnoc4C)cc3F)c2s1
• InChI: InChI=1S/C25H23FN4O3S/c1-4-30(5-2)12-6-7-18-14-21-24(34-18)23(10-11-27-21)32-22-9-8-17(13-20(22)26)29-25(31)19-15-28-33-16(19)3/h8-11,13-15H,4-5,12H2,1-3H3,(H,29,31)
• InChIKey: VRHXXTMAQGWAMU-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-methyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 24983367) is N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-methyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-methyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-methyl-1,2-oxazole-4-carboxamide is CCN(CC)CC#Cc1cc2nccc(Oc3ccc(NC(=O)c4cnoc4C)cc3F)c2s1.

What is the InChIKey of N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-methyl-1,2-oxazole-4-carboxamide?

The InChIKey is VRHXXTMAQGWAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3S/c1-4-30(5-2)12-6-7-18-14-21-24(34-18)23(10-11-27-21)32-22-9-8-17(13-20(22)26)29-25(31)19-15-28-33-16(19)3/h8-11,13-15H,4-5,12H2,1-3H3,(H,29,31).

What are the key properties of N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-methyl-1,2-oxazole-4-carboxamide?

N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24983367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).