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

C23H16F6N4OS — CID 20908717

IUPACN-[2-(trifluoromethyl)phenyl]-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
SMILESO=C(Cn1c(SCc2cccc(C(F)(F)F)c2)nc2cccnc21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H16F6N4OS/c24-22(25,26)15-6-3-5-14(11-15)13-35-21-32-18-9-4-10-30-20(18)33(21)12-19(34)31-17-8-2-1-7-16(17)23(27,28)29/h1-11H,12-13H2,(H,31,34)
InChIKeyGFLROXXWBNEVKI-UHFFFAOYSA-N
MW510.46 g/mol
LogP6.40
Rot. Bonds6

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

N-[2-(trifluoromethyl)phenyl]-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide (PubChem CID 20908717) has the molecular formula C23H16F6N4OS and a molecular weight of 510.46 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
PubChem CID20908717
Molecular FormulaC23H16F6N4OS
Molecular Weight510.46 g/mol
Exact Mass510.09
IUPAC NameN-[2-(trifluoromethyl)phenyl]-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
SMILESO=C(Cn1c(SCc2cccc(C(F)(F)F)c2)nc2cccnc21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H16F6N4OS/c24-22(25,26)15-6-3-5-14(11-15)13-35-21-32-18-9-4-10-30-20(18)33(21)12-19(34)31-17-8-2-1-7-16(17)23(27,28)29/h1-11H,12-13H2,(H,31,34)
InChIKeyGFLROXXWBNEVKI-UHFFFAOYSA-N
XLogP6.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.46
LogP ≤ 56.40
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-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890917
3-[(3-fluorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridine
CID 20908726
3-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridine
CID 20908753
N-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908533
2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 20908648
N-(3-ethylphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908581
N-(3-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890916
N-(3,4-dimethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890915
N-(3-fluoro-4-methylphenyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908585
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 98275193

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide (CID 20908717) is N-[2-(trifluoromethyl)phenyl]-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide is O=C(Cn1c(SCc2cccc(C(F)(F)F)c2)nc2cccnc21)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide?
The InChIKey is GFLROXXWBNEVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F6N4OS/c24-22(25,26)15-6-3-5-14(11-15)13-35-21-32-18-9-4-10-30-20(18)33(21)12-19(34)31-17-8-2-1-7-16(17)23(27,28)29/h1-11H,12-13H2,(H,31,34).
What are the key properties of N-[2-(trifluoromethyl)phenyl]-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide?
N-[2-(trifluoromethyl)phenyl]-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide has a molecular weight of 510.46 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 20908717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).