4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfonylimidazol-4-yl]-2-propan-2-yloxypyridine

C21H24FN3O4S — CID 68557818

IUPAC4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfonylimidazol-4-yl]-2-propan-2-yloxypyridine
SMILESCOCCn1c(S(C)(=O)=O)nc(-c2ccc(F)cc2)c1-c1ccnc(OC(C)C)c1
InChIInChI=1S/C21H24FN3O4S/c1-14(2)29-18-13-16(9-10-23-18)20-19(15-5-7-17(22)8-6-15)24-21(30(4,26)27)25(20)11-12-28-3/h5-10,13-14H,11-12H2,1-4H3
InChIKeyBXFREGPTMKEUFW-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.59
Rot. Bonds8

About 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfonylimidazol-4-yl]-2-propan-2-yloxypyridine

4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfonylimidazol-4-yl]-2-propan-2-yloxypyridine (PubChem CID 68557818) has the molecular formula C21H24FN3O4S and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfonylimidazol-4-yl]-2-propan-2-yloxypyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfonylimidazol-4-yl]-2-propan-2-yloxypyridine
PubChem CID68557818
Molecular FormulaC21H24FN3O4S
Molecular Weight433.51 g/mol
Exact Mass433.15
IUPAC Name4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfonylimidazol-4-yl]-2-propan-2-yloxypyridine
SMILESCOCCn1c(S(C)(=O)=O)nc(-c2ccc(F)cc2)c1-c1ccnc(OC(C)C)c1
InChIInChI=1S/C21H24FN3O4S/c1-14(2)29-18-13-16(9-10-23-18)20-19(15-5-7-17(22)8-6-15)24-21(30(4,26)27)25(20)11-12-28-3/h5-10,13-14H,11-12H2,1-4H3
InChIKeyBXFREGPTMKEUFW-UHFFFAOYSA-N
XLogP3.59
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfonylimidazol-4-yl]-2-propan-2-yloxypyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfonylimidazol-4-yl]-2-propan-2-yloxypyridine (CID 68557818) is 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfonylimidazol-4-yl]-2-propan-2-yloxypyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfonylimidazol-4-yl]-2-propan-2-yloxypyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfonylimidazol-4-yl]-2-propan-2-yloxypyridine is COCCn1c(S(C)(=O)=O)nc(-c2ccc(F)cc2)c1-c1ccnc(OC(C)C)c1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfonylimidazol-4-yl]-2-propan-2-yloxypyridine?
The InChIKey is BXFREGPTMKEUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4S/c1-14(2)29-18-13-16(9-10-23-18)20-19(15-5-7-17(22)8-6-15)24-21(30(4,26)27)25(20)11-12-28-3/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfonylimidazol-4-yl]-2-propan-2-yloxypyridine?
4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfonylimidazol-4-yl]-2-propan-2-yloxypyridine has a molecular weight of 433.51 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfonylimidazol-4-yl]-2-propan-2-yloxypyridine is sourced from PubChem (CID 68557818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).