4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine

C15H13FN4OS — CID 154699548

IUPAC4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine
SMILESCS(=O)c1nc(-c2ccnc(N)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C15H13FN4OS/c1-22(21)15-19-13(9-2-4-11(16)5-3-9)14(20-15)10-6-7-18-12(17)8-10/h2-8H,1H3,(H2,17,18)(H,19,20)
InChIKeyDEVKGTPEZICAAL-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.60
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine

4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine (PubChem CID 154699548) has the molecular formula C15H13FN4OS and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine
PubChem CID154699548
Molecular FormulaC15H13FN4OS
Molecular Weight316.36 g/mol
Exact Mass316.08
IUPAC Name4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine
SMILESCS(=O)c1nc(-c2ccnc(N)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C15H13FN4OS/c1-22(21)15-19-13(9-2-4-11(16)5-3-9)14(20-15)10-6-7-18-12(17)8-10/h2-8H,1H3,(H2,17,18)(H,19,20)
InChIKeyDEVKGTPEZICAAL-UHFFFAOYSA-N
XLogP2.60
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide
CID 53239062
4-[5-(4-fluorophenyl)-2-[(S)-methylsulfinyl]-1H-imidazol-4-yl]-N-propan-2-ylpyridin-2-amine
CID 53238153
5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
CID 70970698
4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 15604480
4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridin-1-ium
CID 45481534
4-[4-(4-fluorophenyl)-2-propan-2-yl-1H-imidazol-5-yl]pyridine
CID 14849810
4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane
CID 143254997
2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole
CID 68616974
4-[4-(4-fluoro-3-methylphenyl)-2-[(Z)-2-methanimidoyl-3-methylbut-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine
CID 143255025
4-[4-(4-fluoro-3-methylphenyl)-2-[(E)-3-imino-1-methoxyprop-1-enyl]-1H-imidazol-5-yl]pyridin-2-amine
CID 143255018
8-(2-amino-4-pyridinyl)-9-ethyl-6-(4-fluorophenyl)purin-2-amine
CID 142780240
2-(4-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]pyridine
CID 69102822

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine (CID 154699548) is 4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine is CS(=O)c1nc(-c2ccnc(N)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine?
The InChIKey is DEVKGTPEZICAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS/c1-22(21)15-19-13(9-2-4-11(16)5-3-9)14(20-15)10-6-7-18-12(17)8-10/h2-8H,1H3,(H2,17,18)(H,19,20).
What are the key properties of 4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine?
4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine has a molecular weight of 316.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 154699548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).