N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide

C17H15FN4O2S — CID 53239062

IUPACN-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc([S@@](C)=O)[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C17H15FN4O2S/c1-10(23)20-14-9-12(7-8-19-14)16-15(21-17(22-16)25(2)24)11-3-5-13(18)6-4-11/h3-9H,1-2H3,(H,21,22)(H,19,20,23)/t25-/m1/s1
InChIKeyFSGQSNMSKKPBHY-RUZDIDTESA-N
MW358.40 g/mol
LogP2.97
Rot. Bonds4

About N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide

N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 53239062) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide
PubChem CID53239062
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC NameN-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc([S@@](C)=O)[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C17H15FN4O2S/c1-10(23)20-14-9-12(7-8-19-14)16-15(21-17(22-16)25(2)24)11-3-5-13(18)6-4-11/h3-9H,1-2H3,(H,21,22)(H,19,20,23)/t25-/m1/s1
InChIKeyFSGQSNMSKKPBHY-RUZDIDTESA-N
XLogP2.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide (CID 53239062) is N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2nc([S@@](C)=O)[nH]c2-c2ccc(F)cc2)ccn1.
What is the InChIKey of N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is FSGQSNMSKKPBHY-RUZDIDTESA-N. The full InChI is InChI=1S/C17H15FN4O2S/c1-10(23)20-14-9-12(7-8-19-14)16-15(21-17(22-16)25(2)24)11-3-5-13(18)6-4-11/h3-9H,1-2H3,(H,21,22)(H,19,20,23)/t25-/m1/s1.
What are the key properties of N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 53239062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).