2-(1-benzylsulfonylimidazo[1,5-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

C24H22FN3O3S — CID 54579585

IUPAC2-(1-benzylsulfonylimidazo[1,5-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)Cc1nc(S(=O)(=O)Cc2ccccc2)c2ccccn12
InChIInChI=1S/C24H22FN3O3S/c1-27(16-18-10-12-20(25)13-11-18)23(29)15-22-26-24(21-9-5-6-14-28(21)22)32(30,31)17-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3
InChIKeyAIXNJBWVNGPEMF-UHFFFAOYSA-N
MW451.52 g/mol
LogP3.65
Rot. Bonds7

About 2-(1-benzylsulfonylimidazo[1,5-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

2-(1-benzylsulfonylimidazo[1,5-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 54579585) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is 2-(1-benzylsulfonylimidazo[1,5-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1-benzylsulfonylimidazo[1,5-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
PubChem CID54579585
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC Name2-(1-benzylsulfonylimidazo[1,5-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)Cc1nc(S(=O)(=O)Cc2ccccc2)c2ccccn12
InChIInChI=1S/C24H22FN3O3S/c1-27(16-18-10-12-20(25)13-11-18)23(29)15-22-26-24(21-9-5-6-14-28(21)22)32(30,31)17-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3
InChIKeyAIXNJBWVNGPEMF-UHFFFAOYSA-N
XLogP3.65
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylsulfonylimidazo[1,5-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(1-benzylsulfonylimidazo[1,5-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (CID 54579585) is 2-(1-benzylsulfonylimidazo[1,5-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(1-benzylsulfonylimidazo[1,5-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(1-benzylsulfonylimidazo[1,5-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(F)cc1)C(=O)Cc1nc(S(=O)(=O)Cc2ccccc2)c2ccccn12.
What is the InChIKey of 2-(1-benzylsulfonylimidazo[1,5-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is AIXNJBWVNGPEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c1-27(16-18-10-12-20(25)13-11-18)23(29)15-22-26-24(21-9-5-6-14-28(21)22)32(30,31)17-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3.
What are the key properties of 2-(1-benzylsulfonylimidazo[1,5-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
2-(1-benzylsulfonylimidazo[1,5-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 451.52 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylsulfonylimidazo[1,5-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 54579585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).