1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea

C24H25N5O3S — CID 142713680

IUPAC1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-n3cnc4c(C)cc(C)nc43)cc2)cc1
InChIInChI=1S/C24H25N5O3S/c1-16-4-10-21(11-5-16)33(31,32)28-24(30)25-13-12-19-6-8-20(9-7-19)29-15-26-22-17(2)14-18(3)27-23(22)29/h4-11,14-15H,12-13H2,1-3H3,(H2,25,28,30)
InChIKeyPPXWFPXZIUWVNM-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.58
Rot. Bonds6

About 1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea

1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 142713680) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID142713680
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-n3cnc4c(C)cc(C)nc43)cc2)cc1
InChIInChI=1S/C24H25N5O3S/c1-16-4-10-21(11-5-16)33(31,32)28-24(30)25-13-12-19-6-8-20(9-7-19)29-15-26-22-17(2)14-18(3)27-23(22)29/h4-11,14-15H,12-13H2,1-3H3,(H2,25,28,30)
InChIKeyPPXWFPXZIUWVNM-UHFFFAOYSA-N
XLogP3.58
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
CID 67245194
1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-[4-[2-(ethoxymethyl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]urea
CID 152732774
1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea
CID 110775896
1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-[4-(5-chloro-2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]urea
CID 172814931
N-[5-[2-[4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethylcarbamoylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 10187246
1-[2-[4-(2-ethyl-5,7-dimethyl-4H-imidazo[4,5-c]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
CID 69084685
1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea
CID 10620700
1-(4-methylphenyl)sulfonyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea
CID 110747836
1-(4-methylphenyl)sulfonyl-3-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]urea
CID 110401573
sodium;1-[2-[4-[2-ethyl-6-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea;hydride
CID 173264713
1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea
CID 174454589
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea (CID 142713680) is 1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-n3cnc4c(C)cc(C)nc43)cc2)cc1.
What is the InChIKey of 1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is PPXWFPXZIUWVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-16-4-10-21(11-5-16)33(31,32)28-24(30)25-13-12-19-6-8-20(9-7-19)29-15-26-22-17(2)14-18(3)27-23(22)29/h4-11,14-15H,12-13H2,1-3H3,(H2,25,28,30).
What are the key properties of 1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea?
1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 463.56 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 142713680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).