2-[5-[(7S)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide

C21H19FN4O4 — CID 51973055

About 2-[5-[(7S)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide

2-[5-[(7S)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide (PubChem CID 51973055) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is 2-[5-[(7S)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[5-[(7S)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide
• PubChem CID: 51973055
• Molecular Formula: C21H19FN4O4
• Molecular Weight: 410.41 g/mol
• Exact Mass: 410.14
• IUPAC Name: 2-[5-[(7S)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide
• SMILES: COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2F)cc1OCC(N)=O
• InChI: InChI=1S/C21H19FN4O4/c1-29-16-7-6-12(8-17(16)30-10-18(23)27)13-9-19(28)25-21-20(13)24-11-26(21)15-5-3-2-4-14(15)22/h2-8,11,13H,9-10H2,1H3,(H2,23,27)(H,25,28)/t13-/m0/s1
• InChIKey: QEQHKIOYBMUSDY-ZDUSSCGKSA-N
• XLogP: 2.36
• TPSA: 108.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.41
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(7S)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide?

The IUPAC name of 2-[5-[(7S)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide (CID 51973055) is 2-[5-[(7S)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide.

What is the SMILES notation for 2-[5-[(7S)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide?

The canonical SMILES for 2-[5-[(7S)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide is COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2F)cc1OCC(N)=O.

What is the InChIKey of 2-[5-[(7S)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide?

The InChIKey is QEQHKIOYBMUSDY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H19FN4O4/c1-29-16-7-6-12(8-17(16)30-10-18(23)27)13-9-19(28)25-21-20(13)24-11-26(21)15-5-3-2-4-14(15)22/h2-8,11,13H,9-10H2,1H3,(H2,23,27)(H,25,28)/t13-/m0/s1.

What are the key properties of 2-[5-[(7S)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide?

2-[5-[(7S)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide has a molecular weight of 410.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(7S)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 51973055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).