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

C22H19FN4OS — CID 20890530

IUPACN-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
SMILESCc1cccc(CSc2nc3ccncc3n2CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C22H19FN4OS/c1-15-4-2-5-16(10-15)14-29-22-26-19-8-9-24-12-20(19)27(22)13-21(28)25-18-7-3-6-17(23)11-18/h2-12H,13-14H2,1H3,(H,25,28)
InChIKeyPWGXYSYUDPLRGF-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.81
Rot. Bonds6

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

N-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide (PubChem CID 20890530) has the molecular formula C22H19FN4OS and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
PubChem CID20890530
Molecular FormulaC22H19FN4OS
Molecular Weight406.49 g/mol
Exact Mass406.13
IUPAC NameN-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
SMILESCc1cccc(CSc2nc3ccncc3n2CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C22H19FN4OS/c1-15-4-2-5-16(10-15)14-29-22-26-19-8-9-24-12-20(19)27(22)13-21(28)25-18-7-3-6-17(23)11-18/h2-12H,13-14H2,1H3,(H,25,28)
InChIKeyPWGXYSYUDPLRGF-UHFFFAOYSA-N
XLogP4.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890591
N-(3-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890916
2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide
CID 20890686
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
2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
CID 6623439
N-(3,5-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890655
2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 20890651
2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20890880
N-[(4-fluorophenyl)methyl]-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891229
2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890588
N-methyl-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891238

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide (CID 20890530) is N-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide is Cc1cccc(CSc2nc3ccncc3n2CC(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
The InChIKey is PWGXYSYUDPLRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4OS/c1-15-4-2-5-16(10-15)14-29-22-26-19-8-9-24-12-20(19)27(22)13-21(28)25-18-7-3-6-17(23)11-18/h2-12H,13-14H2,1H3,(H,25,28).
What are the key properties of N-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
N-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 20890530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).