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

C26H25FN4O3S — CID 24983388

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

N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 24983388) has the molecular formula C26H25FN4O3S and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3,5-dimethyl-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]-3,5-dimethyl-1,2-oxazole-4-carboxamide
• PubChem CID: 24983388
• Molecular Formula: C26H25FN4O3S
• Molecular Weight: 492.58 g/mol
• Exact Mass: 492.16
• IUPAC Name: N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
• SMILES: CCN(CC)CC#Cc1cc2nccc(Oc3ccc(NC(=O)c4c(C)noc4C)cc3F)c2s1
• InChI: InChI=1S/C26H25FN4O3S/c1-5-31(6-2)13-7-8-19-15-21-25(35-19)23(11-12-28-21)33-22-10-9-18(14-20(22)27)29-26(32)24-16(3)30-34-17(24)4/h9-12,14-15H,5-6,13H2,1-4H3,(H,29,32)
• InChIKey: SEBDMMOGXWHBOK-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.58
LogP ≤ 5	5.78
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]-3,5-dimethyl-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]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 24983388) is N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3,5-dimethyl-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]-3,5-dimethyl-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]-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCN(CC)CC#Cc1cc2nccc(Oc3ccc(NC(=O)c4c(C)noc4C)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]-3,5-dimethyl-1,2-oxazole-4-carboxamide?

The InChIKey is SEBDMMOGXWHBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3S/c1-5-31(6-2)13-7-8-19-15-21-25(35-19)23(11-12-28-21)33-22-10-9-18(14-20(22)27)29-26(32)24-16(3)30-34-17(24)4/h9-12,14-15H,5-6,13H2,1-4H3,(H,29,32).

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

N-[4-[2-[3-(diethylamino)prop-1-ynyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 5.78, 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]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24983388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).