N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide

C34H35FN2O6S — CID 160974432

About N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide

N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide (PubChem CID 160974432) has the molecular formula C34H35FN2O6S and a molecular weight of 618.73 g/mol. Its IUPAC name is N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide.

Molecular Properties

• Compound Name: N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide
• PubChem CID: 160974432
• Molecular Formula: C34H35FN2O6S
• Molecular Weight: 618.73 g/mol
• Exact Mass: 618.22
• IUPAC Name: N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide
• SMILES: CCC(=O)N(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)cc1)C(=O)COCCOC
• InChI: InChI=1S/C34H35FN2O6S/c1-3-32(39)37(33(40)21-42-15-14-41-2)20-23-6-9-25(10-7-23)31-19-28-34(44-31)30(12-13-36-28)43-29-11-8-24(18-27(29)35)17-26(38)16-22-4-5-22/h6-13,18-19,22H,3-5,14-17,20-21H2,1-2H3
• InChIKey: OLSCCAWMZLNVEI-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 95.03 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.73
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide?

The IUPAC name of N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide (CID 160974432) is N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide.

What is the SMILES notation for N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide?

The canonical SMILES for N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide is CCC(=O)N(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)cc1)C(=O)COCCOC.

What is the InChIKey of N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide?

The InChIKey is OLSCCAWMZLNVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN2O6S/c1-3-32(39)37(33(40)21-42-15-14-41-2)20-23-6-9-25(10-7-23)31-19-28-34(44-31)30(12-13-36-28)43-29-11-8-24(18-27(29)35)17-26(38)16-22-4-5-22/h6-13,18-19,22H,3-5,14-17,20-21H2,1-2H3.

What are the key properties of N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide?

N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide has a molecular weight of 618.73 g/mol, XLogP of 6.73, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-methoxyethoxy)acetyl]propanamide is sourced from PubChem (CID 160974432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).