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

C23H28N4OS — CID 20890545

IUPACN-cyclohexyl-N-methyl-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
SMILESCc1ccc(CSc2nc3ccncc3n2CC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C23H28N4OS/c1-17-8-10-18(11-9-17)16-29-23-25-20-12-13-24-14-21(20)27(23)15-22(28)26(2)19-6-4-3-5-7-19/h8-14,19H,3-7,15-16H2,1-2H3
InChIKeyVQGFULRUNGKFKY-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.82
Rot. Bonds6

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

N-cyclohexyl-N-methyl-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide (PubChem CID 20890545) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
PubChem CID20890545
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC NameN-cyclohexyl-N-methyl-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
SMILESCc1ccc(CSc2nc3ccncc3n2CC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C23H28N4OS/c1-17-8-10-18(11-9-17)16-29-23-25-20-12-13-24-14-21(20)27(23)15-22(28)26(2)19-6-4-3-5-7-19/h8-14,19H,3-7,15-16H2,1-2H3
InChIKeyVQGFULRUNGKFKY-UHFFFAOYSA-N
XLogP4.82
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 20891018
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 92668545
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965
2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
CID 20890635
2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
CID 6623439
N-[2-(diethylamino)ethyl]-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891183
N-cyclopentyl-4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 15945519
2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide
CID 20890728
N-(2-chloro-4-methylphenyl)-2-[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890764
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 92668537
N-cycloheptyl-4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20887133
2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890588

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide (CID 20890545) is N-cyclohexyl-N-methyl-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide is Cc1ccc(CSc2nc3ccncc3n2CC(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
The InChIKey is VQGFULRUNGKFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-17-8-10-18(11-9-17)16-29-23-25-20-12-13-24-14-21(20)27(23)15-22(28)26(2)19-6-4-3-5-7-19/h8-14,19H,3-7,15-16H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide?
N-cyclohexyl-N-methyl-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide has a molecular weight of 408.57 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 20890545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).