1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea

C23H23N5O3S — CID 67245194

IUPAC1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-n3cnc4c(C)nccc43)cc2)cc1
InChIInChI=1S/C23H23N5O3S/c1-16-3-9-20(10-4-16)32(30,31)27-23(29)25-13-11-18-5-7-19(8-6-18)28-15-26-22-17(2)24-14-12-21(22)28/h3-10,12,14-15H,11,13H2,1-2H3,(H2,25,27,29)
InChIKeyJUPJWSANFWIXGQ-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.27
Rot. Bonds6

About 1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea

1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 67245194) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID67245194
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-n3cnc4c(C)nccc43)cc2)cc1
InChIInChI=1S/C23H23N5O3S/c1-16-3-9-20(10-4-16)32(30,31)27-23(29)25-13-11-18-5-7-19(8-6-18)28-15-26-22-17(2)24-14-12-21(22)28/h3-10,12,14-15H,11,13H2,1-2H3,(H2,25,27,29)
InChIKeyJUPJWSANFWIXGQ-UHFFFAOYSA-N
XLogP3.27
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
CID 142713680
1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea
CID 110775896
1-(4-methylphenyl)sulfonyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea
CID 110747836
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-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]urea
CID 110401573
1-(4-methylphenyl)sulfonyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747701
1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea
CID 174454589
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 173234081
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
sodium;1-[2-[4-[2-ethyl-6-(trifluoromethyl)-2,3-dihydrobenzimidazol-1-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea;hydride
CID 173264713

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea (CID 67245194) is 1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-n3cnc4c(C)nccc43)cc2)cc1.
What is the InChIKey of 1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is JUPJWSANFWIXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-16-3-9-20(10-4-16)32(30,31)27-23(29)25-13-11-18-5-7-19(8-6-18)28-15-26-22-17(2)24-14-12-21(22)28/h3-10,12,14-15H,11,13H2,1-2H3,(H2,25,27,29).
What are the key properties of 1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea?
1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 449.54 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 67245194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).