2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide

C25H26N4OS — CID 20890686

IUPAC2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2c(SCc3cc(C)ccc3C)nc3ccncc32)c1
InChIInChI=1S/C25H26N4OS/c1-4-19-6-5-7-21(13-19)27-24(30)15-29-23-14-26-11-10-22(23)28-25(29)31-16-20-12-17(2)8-9-18(20)3/h5-14H,4,15-16H2,1-3H3,(H,27,30)
InChIKeyJULVLJLBUPGSCH-UHFFFAOYSA-N
MW430.58 g/mol
LogP5.54
Rot. Bonds7

About 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide

2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide (PubChem CID 20890686) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide
PubChem CID20890686
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC Name2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2c(SCc3cc(C)ccc3C)nc3ccncc32)c1
InChIInChI=1S/C25H26N4OS/c1-4-19-6-5-7-21(13-19)27-24(30)15-29-23-14-26-11-10-22(23)28-25(29)31-16-20-12-17(2)8-9-18(20)3/h5-14H,4,15-16H2,1-3H3,(H,27,30)
InChIKeyJULVLJLBUPGSCH-UHFFFAOYSA-N
XLogP5.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.58
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890916
N-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890530
2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethylphenyl)acetamide
CID 20890883
N-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890915
3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20890697
N-(3-ethylphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908581
N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890917
N-[4-(dimethylamino)phenyl]-2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890591
2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20890880
3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20890837
N-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890807
N-(2-chloro-4-methylphenyl)-2-[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890764

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide (CID 20890686) is 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)Cn2c(SCc3cc(C)ccc3C)nc3ccncc32)c1.
What is the InChIKey of 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide?
The InChIKey is JULVLJLBUPGSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-4-19-6-5-7-21(13-19)27-24(30)15-29-23-14-26-11-10-22(23)28-25(29)31-16-20-12-17(2)8-9-18(20)3/h5-14H,4,15-16H2,1-3H3,(H,27,30).
What are the key properties of 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide?
2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide has a molecular weight of 430.58 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 20890686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).