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

C25H19FN4O4S — CID 18753889

IUPAC2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4S(N)(=O)=O)cc2F)N=C3)cc1
InChIInChI=1S/C25H19FN4O4S/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/h2-14,23H,1H3,(H2,27,32,33)
InChIKeyRZEUGRPXJIUFBX-UHFFFAOYSA-N
MW490.52 g/mol
LogP3.69
Rot. Bonds5

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

2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide (PubChem CID 18753889) has the molecular formula C25H19FN4O4S and a molecular weight of 490.52 g/mol. Its IUPAC name is 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide
PubChem CID18753889
Molecular FormulaC25H19FN4O4S
Molecular Weight490.52 g/mol
Exact Mass490.11
IUPAC Name2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4S(N)(=O)=O)cc2F)N=C3)cc1
InChIInChI=1S/C25H19FN4O4S/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/h2-14,23H,1H3,(H2,27,32,33)
InChIKeyRZEUGRPXJIUFBX-UHFFFAOYSA-N
XLogP3.69
TPSA116.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide (CID 18753889) is 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide is COc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4S(N)(=O)=O)cc2F)N=C3)cc1.
What is the InChIKey of 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide?
The InChIKey is RZEUGRPXJIUFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O4S/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/h2-14,23H,1H3,(H2,27,32,33).
What are the key properties of 2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide?
2-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-6H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide has a molecular weight of 490.52 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 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-6H-imidazo[4,5-c]pyridin-6-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 18753889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).