6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one

C26H20FN3O4S — CID 18753736

IUPAC6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one
SMILESCOc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4S(C)(=O)=O)cc2F)N=C3)cc1
InChIInChI=1S/C26H20FN3O4S/c1-34-18-10-8-17(9-11-18)30-15-29-22-14-28-24(26(31)25(22)30)20-12-7-16(13-21(20)27)19-5-3-4-6-23(19)35(2,32)33/h3-15,24H,1-2H3
InChIKeyMRVPEEDGSOZYOW-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.45
Rot. Bonds5

About 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one

6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one (PubChem CID 18753736) has the molecular formula C26H20FN3O4S and a molecular weight of 489.53 g/mol. Its IUPAC name is 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one.

Molecular Properties

Compound Name6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one
PubChem CID18753736
Molecular FormulaC26H20FN3O4S
Molecular Weight489.53 g/mol
Exact Mass489.12
IUPAC Name6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one
SMILESCOc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4S(C)(=O)=O)cc2F)N=C3)cc1
InChIInChI=1S/C26H20FN3O4S/c1-34-18-10-8-17(9-11-18)30-15-29-22-14-28-24(26(31)25(22)30)20-12-7-16(13-21(20)27)19-5-3-4-6-23(19)35(2,32)33/h3-15,24H,1-2H3
InChIKeyMRVPEEDGSOZYOW-UHFFFAOYSA-N
XLogP4.45
TPSA90.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[4-(Dimethylamino)phenyl]-1-(4-methoxyphenyl)sulfonylimidazol-4-yl]-(4-fluorophenyl)methanone
CID 56668348
6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
CID 18753720
4-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-sulfonamide
CID 18753726
6-[4-[2-[(tert-butylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one
CID 18753768
2-[3-Fluoro-4-[1-(4-methoxyphenyl)-8-oxo-4,5,6,7-tetrahydroimidazo[4,5-c]azepin-6-yl]phenyl]benzenesulfonamide
CID 18753782
2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide
CID 18753792
6-[4-[2-(aminomethyl)phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one
CID 18753793
6-[2-fluoro-4-[2-(methylaminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
CID 18753801
6-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one
CID 18753883
2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide
CID 18753889
6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
CID 18753899
6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
CID 18753900

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one?
The IUPAC name of 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one (CID 18753736) is 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one.
What is the SMILES notation for 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one?
The canonical SMILES for 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one is COc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4S(C)(=O)=O)cc2F)N=C3)cc1.
What is the InChIKey of 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one?
The InChIKey is MRVPEEDGSOZYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O4S/c1-34-18-10-8-17(9-11-18)30-15-29-22-14-28-24(26(31)25(22)30)20-12-7-16(13-21(20)27)19-5-3-4-6-23(19)35(2,32)33/h3-15,24H,1-2H3.
What are the key properties of 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one?
6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one has a molecular weight of 489.53 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one is sourced from PubChem (CID 18753736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).