2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide

C25H21FN4O4S — CID 18753792

IUPAC2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4S(N)(=O)=O)cc2F)NC3)cc1
InChIInChI=1S/C25H21FN4O4S/c1-34-17-9-7-16(8-10-17)30-14-29-21-13-28-23(25(31)24(21)30)19-11-6-15(12-20(19)26)18-4-2-3-5-22(18)35(27,32)33/h2-12,14,23,28H,13H2,1H3,(H2,27,32,33)
InChIKeyMNEYAOVWHSTTIE-UHFFFAOYSA-N
MW492.53 g/mol
LogP3.36
Rot. Bonds5

About 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide

2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide (PubChem CID 18753792) has the molecular formula C25H21FN4O4S and a molecular weight of 492.53 g/mol. Its IUPAC name is 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide
PubChem CID18753792
Molecular FormulaC25H21FN4O4S
Molecular Weight492.53 g/mol
Exact Mass492.13
IUPAC Name2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4S(N)(=O)=O)cc2F)NC3)cc1
InChIInChI=1S/C25H21FN4O4S/c1-34-17-9-7-16(8-10-17)30-14-29-21-13-28-23(25(31)24(21)30)19-11-6-15(12-20(19)26)18-4-2-3-5-22(18)35(27,32)33/h2-12,14,23,28H,13H2,1H3,(H2,27,32,33)
InChIKeyMNEYAOVWHSTTIE-UHFFFAOYSA-N
XLogP3.36
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one
CID 18753736
6-[2-fluoro-4-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
CID 18753745
6-[4-[2-[(Dimethylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]azepin-8-one
CID 18753751
6-[4-[2-[[Ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]azepin-8-one
CID 18753753
6-[4-[2-[(tert-butylamino)methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-6H-imidazo[4,5-c]pyridin-7-one
CID 18753768
6-[2-Fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]azepin-8-one
CID 18753780
2-[3-Fluoro-4-[1-(4-methoxyphenyl)-8-oxo-4,5,6,7-tetrahydroimidazo[4,5-c]azepin-6-yl]phenyl]benzenesulfonamide
CID 18753782
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-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
CID 18753816

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide (CID 18753792) is 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide is COc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4S(N)(=O)=O)cc2F)NC3)cc1.
What is the InChIKey of 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide?
The InChIKey is MNEYAOVWHSTTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O4S/c1-34-17-9-7-16(8-10-17)30-14-29-21-13-28-23(25(31)24(21)30)19-11-6-15(12-20(19)26)18-4-2-3-5-22(18)35(27,32)33/h2-12,14,23,28H,13H2,1H3,(H2,27,32,33).
What are the key properties of 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide?
2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide has a molecular weight of 492.53 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 18753792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).