N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide

C22H22FN3O2S — CID 126590416

About N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide

N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide (PubChem CID 126590416) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide
• PubChem CID: 126590416
• Molecular Formula: C22H22FN3O2S
• Molecular Weight: 411.50 g/mol
• Exact Mass: 411.14
• IUPAC Name: N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide
• SMILES: CCC(=O)Nc1ccc(Oc2ccnc3cc(C4=CCCN(C)C4)sc23)c(F)c1
• InChI: InChI=1S/C22H22FN3O2S/c1-3-21(27)25-15-6-7-18(16(23)11-15)28-19-8-9-24-17-12-20(29-22(17)19)14-5-4-10-26(2)13-14/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,25,27)
• InChIKey: FFHDXXAQROCULJ-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.50
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide?

The IUPAC name of N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide (CID 126590416) is N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide.

What is the SMILES notation for N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide?

The canonical SMILES for N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide is CCC(=O)Nc1ccc(Oc2ccnc3cc(C4=CCCN(C)C4)sc23)c(F)c1.

What is the InChIKey of N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide?

The InChIKey is FFHDXXAQROCULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c1-3-21(27)25-15-6-7-18(16(23)11-15)28-19-8-9-24-17-12-20(29-22(17)19)14-5-4-10-26(2)13-14/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,25,27).

What are the key properties of N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide?

N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide has a molecular weight of 411.50 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide is sourced from PubChem (CID 126590416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).