2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide

C23H22N4O2S — CID 20890728

IUPAC2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide
SMILESCOc1cccc(CSc2nc3ccncc3n2CC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C23H22N4O2S/c1-26(18-8-4-3-5-9-18)22(28)15-27-21-14-24-12-11-20(21)25-23(27)30-16-17-7-6-10-19(13-17)29-2/h3-14H,15-16H2,1-2H3
InChIKeyGMCKKQSPNXADTF-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.40
Rot. Bonds7

About 2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide

2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide (PubChem CID 20890728) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide
PubChem CID20890728
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide
SMILESCOc1cccc(CSc2nc3ccncc3n2CC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C23H22N4O2S/c1-26(18-8-4-3-5-9-18)22(28)15-27-21-14-24-12-11-20(21)25-23(27)30-16-17-7-6-10-19(13-17)29-2/h3-14H,15-16H2,1-2H3
InChIKeyGMCKKQSPNXADTF-UHFFFAOYSA-N
XLogP4.40
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-propylbenzamide
CID 20887210
4-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide
CID 20891082
N-[4-(dimethylamino)phenyl]-2-[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890591
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
CID 20890739
2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20890880
(3,5-dimethylpiperidin-1-yl)-[4-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]phenyl]methanone
CID 20887175
2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
CID 6623439
N-(3,5-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890655
2-(3-chlorophenyl)-4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole
CID 20890731
N-(3-chloro-2-methylphenyl)-2-[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890754
N-(furan-2-ylmethyl)-4-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20891081
3-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]benzo[g]quinazolin-4-one
CID 155522820

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide (CID 20890728) is 2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide is COc1cccc(CSc2nc3ccncc3n2CC(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide?
The InChIKey is GMCKKQSPNXADTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-26(18-8-4-3-5-9-18)22(28)15-27-21-14-24-12-11-20(21)25-23(27)30-16-17-7-6-10-19(13-17)29-2/h3-14H,15-16H2,1-2H3.
What are the key properties of 2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide?
2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide has a molecular weight of 418.52 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 20890728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).