6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine

C34H40FN3O7S — CID 123394627

About 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine

6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine (PubChem CID 123394627) has the molecular formula C34H40FN3O7S and a molecular weight of 653.77 g/mol. Its IUPAC name is 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine.

Molecular Properties

• Compound Name: 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine
• PubChem CID: 123394627
• Molecular Formula: C34H40FN3O7S
• Molecular Weight: 653.77 g/mol
• Exact Mass: 653.26
• IUPAC Name: 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine
• SMILES: COCCOCCOCCOCCN.O=Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1
• InChI: InChI=1S/C25H19FN2O3S.C9H21NO4/c26-19-11-16(10-18(30)9-15-1-2-15)4-6-22(19)31-23-7-8-27-21-12-24(32-25(21)23)20-5-3-17(14-29)13-28-20;1-11-4-5-13-8-9-14-7-6-12-3-2-10/h3-8,11-15H,1-2,9-10H2;2-10H2,1H3
• InChIKey: UPAOCFUCZPBMDK-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 132.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	653.77
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine?

The IUPAC name of 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine (CID 123394627) is 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine.

What is the SMILES notation for 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine?

The canonical SMILES for 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine is COCCOCCOCCOCCN.O=Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1.

What is the InChIKey of 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine?

The InChIKey is UPAOCFUCZPBMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O3S.C9H21NO4/c26-19-11-16(10-18(30)9-15-1-2-15)4-6-22(19)31-23-7-8-27-21-12-24(32-25(21)23)20-5-3-17(14-29)13-28-20;1-11-4-5-13-8-9-14-7-6-12-3-2-10/h3-8,11-15H,1-2,9-10H2;2-10H2,1H3.

What are the key properties of 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine?

6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine has a molecular weight of 653.77 g/mol, XLogP of 5.66, 19 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbaldehyde;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 123394627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).