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

C23H21FN4OS — CID 20908533

IUPACN-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(SCc2ccc(F)cc2)nc2cccnc21
InChIInChI=1S/C23H21FN4OS/c1-2-17-6-3-4-7-19(17)26-21(29)14-28-22-20(8-5-13-25-22)27-23(28)30-15-16-9-11-18(24)12-10-16/h3-13H,2,14-15H2,1H3,(H,26,29)
InChIKeyDAICZFDJRPLESX-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.06
Rot. Bonds7

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

N-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide (PubChem CID 20908533) has the molecular formula C23H21FN4OS and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
PubChem CID20908533
Molecular FormulaC23H21FN4OS
Molecular Weight420.51 g/mol
Exact Mass420.14
IUPAC NameN-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(SCc2ccc(F)cc2)nc2cccnc21
InChIInChI=1S/C23H21FN4OS/c1-2-17-6-3-4-7-19(17)26-21(29)14-28-22-20(8-5-13-25-22)27-23(28)30-15-16-9-11-18(24)12-10-16/h3-13H,2,14-15H2,1H3,(H,26,29)
InChIKeyDAICZFDJRPLESX-UHFFFAOYSA-N
XLogP5.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908721
2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20908548
N-(3-ethylphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908581
N-(3-fluoro-4-methylphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908585
N-[2-(trifluoromethyl)phenyl]-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908717
2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 20908648
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4667582
4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 20908295
2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide
CID 1273809
4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-(3-methylbutyl)benzamide
CID 20908297
N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890917
N-(5-chloro-2-methylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 20908566

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide (CID 20908533) is N-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide is CCc1ccccc1NC(=O)Cn1c(SCc2ccc(F)cc2)nc2cccnc21.
What is the InChIKey of N-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide?
The InChIKey is DAICZFDJRPLESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4OS/c1-2-17-6-3-4-7-19(17)26-21(29)14-28-22-20(8-5-13-25-22)27-23(28)30-15-16-9-11-18(24)12-10-16/h3-13H,2,14-15H2,1H3,(H,26,29).
What are the key properties of N-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide?
N-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 20908533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).