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

C22H19FN4OS — CID 6625366

IUPAC2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1c(SCc2ccccc2F)nc2ccncc21)c1ccccc1
InChIInChI=1S/C22H19FN4OS/c1-26(17-8-3-2-4-9-17)21(28)14-27-20-13-24-12-11-19(20)25-22(27)29-15-16-7-5-6-10-18(16)23/h2-13H,14-15H2,1H3
InChIKeyWFGPFFTYTNXFMB-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.53
Rot. Bonds6

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

2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide (PubChem CID 6625366) has the molecular formula C22H19FN4OS and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide
PubChem CID6625366
Molecular FormulaC22H19FN4OS
Molecular Weight406.49 g/mol
Exact Mass406.13
IUPAC Name2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1c(SCc2ccccc2F)nc2ccncc21)c1ccccc1
InChIInChI=1S/C22H19FN4OS/c1-26(17-8-3-2-4-9-17)21(28)14-27-20-13-24-12-11-19(20)25-22(27)29-15-16-7-5-6-10-18(16)23/h2-13H,14-15H2,1H3
InChIKeyWFGPFFTYTNXFMB-UHFFFAOYSA-N
XLogP4.53
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide (CID 6625366) is 2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide is CN(C(=O)Cn1c(SCc2ccccc2F)nc2ccncc21)c1ccccc1.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide?
The InChIKey is WFGPFFTYTNXFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4OS/c1-26(17-8-3-2-4-9-17)21(28)14-27-20-13-24-12-11-19(20)25-22(27)29-15-16-7-5-6-10-18(16)23/h2-13H,14-15H2,1H3.
What are the key properties of 2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide?
2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide has a molecular weight of 406.49 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 6625366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).