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

C23H22FN5OS — CID 20890789

IUPACN-[4-(dimethylamino)phenyl]-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
SMILESCN(C)c1ccc(NC(=O)Cn2c(SCc3ccccc3F)nc3ccncc32)cc1
InChIInChI=1S/C23H22FN5OS/c1-28(2)18-9-7-17(8-10-18)26-22(30)14-29-21-13-25-12-11-20(21)27-23(29)31-15-16-5-3-4-6-19(16)24/h3-13H,14-15H2,1-2H3,(H,26,30)
InChIKeySAIYSQJKTWRYPG-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.57
Rot. Bonds7

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

N-[4-(dimethylamino)phenyl]-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide (PubChem CID 20890789) has the molecular formula C23H22FN5OS and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
PubChem CID20890789
Molecular FormulaC23H22FN5OS
Molecular Weight435.53 g/mol
Exact Mass435.15
IUPAC NameN-[4-(dimethylamino)phenyl]-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
SMILESCN(C)c1ccc(NC(=O)Cn2c(SCc3ccccc3F)nc3ccncc32)cc1
InChIInChI=1S/C23H22FN5OS/c1-28(2)18-9-7-17(8-10-18)26-22(30)14-29-21-13-25-12-11-20(21)27-23(29)31-15-16-5-3-4-6-19(16)24/h3-13H,14-15H2,1-2H3,(H,26,30)
InChIKeySAIYSQJKTWRYPG-UHFFFAOYSA-N
XLogP4.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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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-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890807
2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 20890651
N-(3-fluorophenyl)-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890530
N-(3,5-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890655
N-(2-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890917
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
N-(3-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890916
N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
CID 20890824
2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20890880

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide (CID 20890789) is N-[4-(dimethylamino)phenyl]-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide is CN(C)c1ccc(NC(=O)Cn2c(SCc3ccccc3F)nc3ccncc32)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
The InChIKey is SAIYSQJKTWRYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5OS/c1-28(2)18-9-7-17(8-10-18)26-22(30)14-29-21-13-25-12-11-20(21)27-23(29)31-15-16-5-3-4-6-19(16)24/h3-13H,14-15H2,1-2H3,(H,26,30).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
N-[4-(dimethylamino)phenyl]-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide has a molecular weight of 435.53 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 20890789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).