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

C20H16ClFN4O3 — CID 51973932

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

2-[3-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]phenoxy]acetamide (PubChem CID 51973932) has the molecular formula C20H16ClFN4O3 and a molecular weight of 414.82 g/mol. Its IUPAC name is 2-[3-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[3-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]phenoxy]acetamide
• PubChem CID: 51973932
• Molecular Formula: C20H16ClFN4O3
• Molecular Weight: 414.82 g/mol
• Exact Mass: 414.09
• IUPAC Name: 2-[3-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]phenoxy]acetamide
• SMILES: NC(=O)COc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(F)c(Cl)c2)c1
• InChI: InChI=1S/C20H16ClFN4O3/c21-15-7-12(4-5-16(15)22)26-10-24-19-14(8-18(28)25-20(19)26)11-2-1-3-13(6-11)29-9-17(23)27/h1-7,10,14H,8-9H2,(H2,23,27)(H,25,28)/t14-/m0/s1
• InChIKey: FSZZNMGEKMJREX-AWEZNQCLSA-N
• XLogP: 3.00
• TPSA: 99.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.82
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]phenoxy]acetamide (CID 51973932) is 2-[3-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]phenoxy]acetamide.

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

The canonical SMILES for 2-[3-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]phenoxy]acetamide is NC(=O)COc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(F)c(Cl)c2)c1.

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

The InChIKey is FSZZNMGEKMJREX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H16ClFN4O3/c21-15-7-12(4-5-16(15)22)26-10-24-19-14(8-18(28)25-20(19)26)11-2-1-3-13(6-11)29-9-17(23)27/h1-7,10,14H,8-9H2,(H2,23,27)(H,25,28)/t14-/m0/s1.

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

2-[3-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]phenoxy]acetamide has a molecular weight of 414.82 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]phenoxy]acetamide is sourced from PubChem (CID 51973932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).