2-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)methoxy]-4-[5-(hydroxymethyl)-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-N,N-dimethylacetamide

C26H26ClFN4O6 — CID 59309905

About 2-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)methoxy]-4-[5-(hydroxymethyl)-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-N,N-dimethylacetamide

2-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)methoxy]-4-[5-(hydroxymethyl)-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-N,N-dimethylacetamide (PubChem CID 59309905) has the molecular formula C26H26ClFN4O6 and a molecular weight of 544.97 g/mol. Its IUPAC name is 2-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)methoxy]-4-[5-(hydroxymethyl)-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)methoxy]-4-[5-(hydroxymethyl)-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-N,N-dimethylacetamide
• PubChem CID: 59309905
• Molecular Formula: C26H26ClFN4O6
• Molecular Weight: 544.97 g/mol
• Exact Mass: 544.15
• IUPAC Name: 2-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)methoxy]-4-[5-(hydroxymethyl)-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-N,N-dimethylacetamide
• SMILES: COc1cccc(F)c1COc1cc(-n2c(=O)[nH]c3c(C)cc(CO)nc32)c(Cl)cc1OCC(=O)N(C)C
• InChI: InChI=1S/C26H26ClFN4O6/c1-14-8-15(11-33)29-25-24(14)30-26(35)32(25)19-10-22(21(9-17(19)27)38-13-23(34)31(2)3)37-12-16-18(28)6-5-7-20(16)36-4/h5-10,33H,11-13H2,1-4H3,(H,30,35)
• InChIKey: FSSQGNRCFJTPAD-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 118.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.97
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)methoxy]-4-[5-(hydroxymethyl)-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-N,N-dimethylacetamide?

The IUPAC name of 2-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)methoxy]-4-[5-(hydroxymethyl)-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-N,N-dimethylacetamide (CID 59309905) is 2-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)methoxy]-4-[5-(hydroxymethyl)-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)methoxy]-4-[5-(hydroxymethyl)-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-N,N-dimethylacetamide?

The canonical SMILES for 2-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)methoxy]-4-[5-(hydroxymethyl)-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-N,N-dimethylacetamide is COc1cccc(F)c1COc1cc(-n2c(=O)[nH]c3c(C)cc(CO)nc32)c(Cl)cc1OCC(=O)N(C)C.

What is the InChIKey of 2-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)methoxy]-4-[5-(hydroxymethyl)-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-N,N-dimethylacetamide?

The InChIKey is FSSQGNRCFJTPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN4O6/c1-14-8-15(11-33)29-25-24(14)30-26(35)32(25)19-10-22(21(9-17(19)27)38-13-23(34)31(2)3)37-12-16-18(28)6-5-7-20(16)36-4/h5-10,33H,11-13H2,1-4H3,(H,30,35).

What are the key properties of 2-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)methoxy]-4-[5-(hydroxymethyl)-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-N,N-dimethylacetamide?

2-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)methoxy]-4-[5-(hydroxymethyl)-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 544.97 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)methoxy]-4-[5-(hydroxymethyl)-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 59309905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).