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

C23H21FN4O3S — CID 20890807

IUPACN-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
SMILESCOc1cc(NC(=O)Cn2c(SCc3ccccc3F)nc3ccncc32)cc(OC)c1
InChIInChI=1S/C23H21FN4O3S/c1-30-17-9-16(10-18(11-17)31-2)26-22(29)13-28-21-12-25-8-7-20(21)27-23(28)32-14-15-5-3-4-6-19(15)24/h3-12H,13-14H2,1-2H3,(H,26,29)
InChIKeyWBKOOXGAOQLRNT-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.52
Rot. Bonds8

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

N-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide (PubChem CID 20890807) has the molecular formula C23H21FN4O3S and a molecular weight of 452.51 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
PubChem CID20890807
Molecular FormulaC23H21FN4O3S
Molecular Weight452.51 g/mol
Exact Mass452.13
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
SMILESCOc1cc(NC(=O)Cn2c(SCc3ccccc3F)nc3ccncc32)cc(OC)c1
InChIInChI=1S/C23H21FN4O3S/c1-30-17-9-16(10-18(11-17)31-2)26-22(29)13-28-21-12-25-8-7-20(21)27-23(28)32-14-15-5-3-4-6-19(15)24/h3-12H,13-14H2,1-2H3,(H,26,29)
InChIKeyWBKOOXGAOQLRNT-UHFFFAOYSA-N
XLogP4.52
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890655
N-[4-(dimethylamino)phenyl]-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890789
N-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890530
N-(3,5-dimethoxyphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 46347508
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-(dimethylamino)phenyl]-2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890591
N-(3-chloro-2-methylphenyl)-2-[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890754
2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide
CID 20890686
N-(2-chloro-4-methylphenyl)-2-[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890764
N-(3-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890916
N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890917

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide (CID 20890807) is N-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide is COc1cc(NC(=O)Cn2c(SCc3ccccc3F)nc3ccncc32)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
The InChIKey is WBKOOXGAOQLRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S/c1-30-17-9-16(10-18(11-17)31-2)26-22(29)13-28-21-12-25-8-7-20(21)27-23(28)32-14-15-5-3-4-6-19(15)24/h3-12H,13-14H2,1-2H3,(H,26,29).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide has a molecular weight of 452.51 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 20890807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).