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

C24H20FN5O4S — CID 18753726

IUPAC4-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-sulfonamide
SMILESCOc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccncc4S(N)(=O)=O)cc2F)NC3)cc1
InChIInChI=1S/C24H20FN5O4S/c1-34-16-5-3-15(4-6-16)30-13-29-20-11-28-22(24(31)23(20)30)18-7-2-14(10-19(18)25)17-8-9-27-12-21(17)35(26,32)33/h2-10,12-13,22,28H,11H2,1H3,(H2,26,32,33)
InChIKeyDLYNJXOHOHRRDW-UHFFFAOYSA-N
MW493.52 g/mol
LogP2.76
Rot. Bonds5

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

4-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-sulfonamide (PubChem CID 18753726) has the molecular formula C24H20FN5O4S and a molecular weight of 493.52 g/mol. Its IUPAC name is 4-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-sulfonamide
PubChem CID18753726
Molecular FormulaC24H20FN5O4S
Molecular Weight493.52 g/mol
Exact Mass493.12
IUPAC Name4-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-sulfonamide
SMILESCOc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccncc4S(N)(=O)=O)cc2F)NC3)cc1
InChIInChI=1S/C24H20FN5O4S/c1-34-16-5-3-15(4-6-16)30-13-29-20-11-28-22(24(31)23(20)30)18-7-2-14(10-19(18)25)17-8-9-27-12-21(17)35(26,32)33/h2-10,12-13,22,28H,11H2,1H3,(H2,26,32,33)
InChIKeyDLYNJXOHOHRRDW-UHFFFAOYSA-N
XLogP2.76
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-sulfonamide with MolForge

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Related Compounds

CID 56668348
CID 56668348
CID 56659594
CID 56659594
CID 56673435
CID 56673435
CID 122685921
CID 122685921
CID 122686097
CID 122686097
CID 122686150
CID 122686150
CID 162645774
CID 162645774
CID 162663508
CID 162663508
CID 162673379
CID 162673379
CID 164593833
CID 164593833
CID 164594100
CID 164594100
CID 164594649
CID 164594649

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-sulfonamide?
The IUPAC name of 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) is 4-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-sulfonamide is COc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccncc4S(N)(=O)=O)cc2F)NC3)cc1.
What is the InChIKey of 4-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-sulfonamide?
The InChIKey is DLYNJXOHOHRRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O4S/c1-34-16-5-3-15(4-6-16)30-13-29-20-11-28-22(24(31)23(20)30)18-7-2-14(10-19(18)25)17-8-9-27-12-21(17)35(26,32)33/h2-10,12-13,22,28H,11H2,1H3,(H2,26,32,33).
What are the key properties of 4-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-sulfonamide?
4-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-sulfonamide has a molecular weight of 493.52 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[1-(4-methoxyphenyl)-7-oxo-5,6-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 18753726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).