1-[2-[4-(2-ethyl-5,7-dimethyl-4H-imidazo[4,5-c]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea

C26H31N5O3S — CID 69084685

IUPAC1-[2-[4-(2-ethyl-5,7-dimethyl-4H-imidazo[4,5-c]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
SMILESCCc1nc2c(n1-c1ccc(CCNC(=O)NS(=O)(=O)c3ccc(C)cc3)cc1)CN(C)C=C2C
InChIInChI=1S/C26H31N5O3S/c1-5-24-28-25-19(3)16-30(4)17-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)29-35(33,34)22-12-6-18(2)7-13-22/h6-13,16H,5,14-15,17H2,1-4H3,(H2,27,29,32)
InChIKeyUUSJVZYYJQKLKR-UHFFFAOYSA-N
MW493.63 g/mol
LogP3.78
Rot. Bonds7

About 1-[2-[4-(2-ethyl-5,7-dimethyl-4H-imidazo[4,5-c]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea

1-[2-[4-(2-ethyl-5,7-dimethyl-4H-imidazo[4,5-c]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 69084685) has the molecular formula C26H31N5O3S and a molecular weight of 493.63 g/mol. Its IUPAC name is 1-[2-[4-(2-ethyl-5,7-dimethyl-4H-imidazo[4,5-c]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[2-[4-(2-ethyl-5,7-dimethyl-4H-imidazo[4,5-c]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID69084685
Molecular FormulaC26H31N5O3S
Molecular Weight493.63 g/mol
Exact Mass493.21
IUPAC Name1-[2-[4-(2-ethyl-5,7-dimethyl-4H-imidazo[4,5-c]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
SMILESCCc1nc2c(n1-c1ccc(CCNC(=O)NS(=O)(=O)c3ccc(C)cc3)cc1)CN(C)C=C2C
InChIInChI=1S/C26H31N5O3S/c1-5-24-28-25-19(3)16-30(4)17-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)29-35(33,34)22-12-6-18(2)7-13-22/h6-13,16H,5,14-15,17H2,1-4H3,(H2,27,29,32)
InChIKeyUUSJVZYYJQKLKR-UHFFFAOYSA-N
XLogP3.78
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 53.78
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-(5-chloro-2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]urea
CID 172814931
1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea
CID 110775896
1-[2-[4-(5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
CID 142713680
2-[4-(2-ethyl-5-methyl-4-phenylimidazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate
CID 91159372
1-(4-methylphenyl)sulfonyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747701
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-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea
CID 174454589
1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-1-methyl-3-(4-methylphenyl)sulfonylurea
CID 159363356
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
1-(4-methylphenyl)sulfonyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea
CID 110747836
1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 173234081

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-ethyl-5,7-dimethyl-4H-imidazo[4,5-c]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[2-[4-(2-ethyl-5,7-dimethyl-4H-imidazo[4,5-c]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea (CID 69084685) is 1-[2-[4-(2-ethyl-5,7-dimethyl-4H-imidazo[4,5-c]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[2-[4-(2-ethyl-5,7-dimethyl-4H-imidazo[4,5-c]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[2-[4-(2-ethyl-5,7-dimethyl-4H-imidazo[4,5-c]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea is CCc1nc2c(n1-c1ccc(CCNC(=O)NS(=O)(=O)c3ccc(C)cc3)cc1)CN(C)C=C2C.
What is the InChIKey of 1-[2-[4-(2-ethyl-5,7-dimethyl-4H-imidazo[4,5-c]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is UUSJVZYYJQKLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S/c1-5-24-28-25-19(3)16-30(4)17-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)29-35(33,34)22-12-6-18(2)7-13-22/h6-13,16H,5,14-15,17H2,1-4H3,(H2,27,29,32).
What are the key properties of 1-[2-[4-(2-ethyl-5,7-dimethyl-4H-imidazo[4,5-c]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea?
1-[2-[4-(2-ethyl-5,7-dimethyl-4H-imidazo[4,5-c]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 493.63 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-ethyl-5,7-dimethyl-4H-imidazo[4,5-c]pyridin-3-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 69084685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).