N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide

C18H17FN4O2S — CID 53238836

IUPACN-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc([S@@](C)=O)n2C)ccn1
InChIInChI=1S/C18H17FN4O2S/c1-11(24)21-15-10-13(8-9-20-15)17-16(12-4-6-14(19)7-5-12)22-18(23(17)2)26(3)25/h4-10H,1-3H3,(H,20,21,24)/t26-/m1/s1
InChIKeyDRMJRHUMYBYDIX-AREMUKBSSA-N
MW372.43 g/mol
LogP2.98
Rot. Bonds4

About N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide

N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 53238836) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide
PubChem CID53238836
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC NameN-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc([S@@](C)=O)n2C)ccn1
InChIInChI=1S/C18H17FN4O2S/c1-11(24)21-15-10-13(8-9-20-15)17-16(12-4-6-14(19)7-5-12)22-18(23(17)2)26(3)25/h4-10H,1-3H3,(H,20,21,24)/t26-/m1/s1
InChIKeyDRMJRHUMYBYDIX-AREMUKBSSA-N
XLogP2.98
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
CID 11669080
N-cyclohexyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
CID 11502486
2-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol
CID 68561498
N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide
CID 53239062
N-cycloheptyl-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
CID 11691317
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
CID 90465331
N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]-1-benzofuran-2-carboxamide
CID 90666078
N-[4-[5-(4-ethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanyl-3-methylimidazol-4-yl]-2-pyridinyl]acetamide;3-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanylpropane-1,2-diol
CID 142830706
N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide
CID 135220632
N-(1-benzylpiperidin-4-yl)-4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfinylimidazol-4-yl]pyridin-2-amine
CID 24810620
N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide
CID 11373031
N-[4-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]butanamide
CID 59759596

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide (CID 53238836) is N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc([S@@](C)=O)n2C)ccn1.
What is the InChIKey of N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is DRMJRHUMYBYDIX-AREMUKBSSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-11(24)21-15-10-13(8-9-20-15)17-16(12-4-6-14(19)7-5-12)22-18(23(17)2)26(3)25/h4-10H,1-3H3,(H,20,21,24)/t26-/m1/s1.
What are the key properties of N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide?
N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 53238836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).