5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one;2,6-dichloropyridine-3-carboxylic acid

C27H18Cl3F3N4O6 — CID 159116900

About 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one;2,6-dichloropyridine-3-carboxylic acid

5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one;2,6-dichloropyridine-3-carboxylic acid (PubChem CID 159116900) has the molecular formula C27H18Cl3F3N4O6 and a molecular weight of 657.82 g/mol. Its IUPAC name is 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one;2,6-dichloropyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one;2,6-dichloropyridine-3-carboxylic acid
• PubChem CID: 159116900
• Molecular Formula: C27H18Cl3F3N4O6
• Molecular Weight: 657.82 g/mol
• Exact Mass: 656.02
• IUPAC Name: 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one;2,6-dichloropyridine-3-carboxylic acid
• SMILES: COc1cc(F)c(-n2c(=O)[nH]c3ccc(Cl)nc32)cc1OCc1c(OC)ccc(F)c1F.O=C(O)c1ccc(Cl)nc1Cl
• InChI: InChI=1S/C21H15ClF3N3O4.C6H3Cl2NO2/c1-30-15-5-3-11(23)19(25)10(15)9-32-17-8-14(12(24)7-16(17)31-2)28-20-13(26-21(28)29)4-6-18(22)27-20;7-4-2-1-3(6(10)11)5(8)9-4/h3-8H,9H2,1-2H3,(H,26,29);1-2H,(H,10,11)
• InChIKey: KFEXDZIAKWJMMX-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 128.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.82
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one;2,6-dichloropyridine-3-carboxylic acid?

The IUPAC name of 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one;2,6-dichloropyridine-3-carboxylic acid (CID 159116900) is 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one;2,6-dichloropyridine-3-carboxylic acid.

What is the SMILES notation for 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one;2,6-dichloropyridine-3-carboxylic acid?

The canonical SMILES for 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one;2,6-dichloropyridine-3-carboxylic acid is COc1cc(F)c(-n2c(=O)[nH]c3ccc(Cl)nc32)cc1OCc1c(OC)ccc(F)c1F.O=C(O)c1ccc(Cl)nc1Cl.

What is the InChIKey of 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one;2,6-dichloropyridine-3-carboxylic acid?

The InChIKey is KFEXDZIAKWJMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O4.C6H3Cl2NO2/c1-30-15-5-3-11(23)19(25)10(15)9-32-17-8-14(12(24)7-16(17)31-2)28-20-13(26-21(28)29)4-6-18(22)27-20;7-4-2-1-3(6(10)11)5(8)9-4/h3-8H,9H2,1-2H3,(H,26,29);1-2H,(H,10,11).

What are the key properties of 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one;2,6-dichloropyridine-3-carboxylic acid?

5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one;2,6-dichloropyridine-3-carboxylic acid has a molecular weight of 657.82 g/mol, XLogP of 6.47, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one;2,6-dichloropyridine-3-carboxylic acid is sourced from PubChem (CID 159116900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).