1-(1-ethylsulfonylazetidin-3-yl)-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one

C21H22FN5O3S — CID 118937530

IUPAC1-(1-ethylsulfonylazetidin-3-yl)-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
SMILESCCS(=O)(=O)N1CC(N2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)C1
InChIInChI=1S/C21H22FN5O3S/c1-2-31(29,30)24-13-15(14-24)25-10-11-26(21(25)28)18-8-5-9-19-16(18)12-23-27(19)20-7-4-3-6-17(20)22/h3-9,12,15H,2,10-11,13-14H2,1H3
InChIKeySBXLNLIGOILQQN-UHFFFAOYSA-N
MW443.50 g/mol
LogP2.44
Rot. Bonds5

About 1-(1-ethylsulfonylazetidin-3-yl)-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one

1-(1-ethylsulfonylazetidin-3-yl)-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (PubChem CID 118937530) has the molecular formula C21H22FN5O3S and a molecular weight of 443.50 g/mol. Its IUPAC name is 1-(1-ethylsulfonylazetidin-3-yl)-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-ethylsulfonylazetidin-3-yl)-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
PubChem CID118937530
Molecular FormulaC21H22FN5O3S
Molecular Weight443.50 g/mol
Exact Mass443.14
IUPAC Name1-(1-ethylsulfonylazetidin-3-yl)-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
SMILESCCS(=O)(=O)N1CC(N2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)C1
InChIInChI=1S/C21H22FN5O3S/c1-2-31(29,30)24-13-15(14-24)25-10-11-26(21(25)28)18-8-5-9-19-16(18)12-23-27(19)20-7-4-3-6-17(20)22/h3-9,12,15H,2,10-11,13-14H2,1H3
InChIKeySBXLNLIGOILQQN-UHFFFAOYSA-N
XLogP2.44
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-Tert-butyl-1-(3,4-difluorophenyl)pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162671174
2-{3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidin-1-yl}acetamide
CID 118937664
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(pyridin-4-yl)imidazolidin-2-one
CID 118937702
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl}imidazolidin-2-one
CID 118937760
N-cyclopropyl-2-{3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidin-1-yl}acetamide
CID 118937849
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]imidazolidin-2-one
CID 118937903
tert-butyl 3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidine-1-carboxylate
CID 118937913
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(4-methyl-2-oxopentyl)imidazolidin-2-one
CID 118937925
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl}imidazolidin-2-one
CID 118937930
1-[[3-Tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162650976
1-[[1-(4-Fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162652328
1-[[1-(3-Fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162660677

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfonylazetidin-3-yl)-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-(1-ethylsulfonylazetidin-3-yl)-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (CID 118937530) is 1-(1-ethylsulfonylazetidin-3-yl)-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-(1-ethylsulfonylazetidin-3-yl)-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-(1-ethylsulfonylazetidin-3-yl)-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one is CCS(=O)(=O)N1CC(N2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)C1.
What is the InChIKey of 1-(1-ethylsulfonylazetidin-3-yl)-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The InChIKey is SBXLNLIGOILQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3S/c1-2-31(29,30)24-13-15(14-24)25-10-11-26(21(25)28)18-8-5-9-19-16(18)12-23-27(19)20-7-4-3-6-17(20)22/h3-9,12,15H,2,10-11,13-14H2,1H3.
What are the key properties of 1-(1-ethylsulfonylazetidin-3-yl)-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
1-(1-ethylsulfonylazetidin-3-yl)-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one has a molecular weight of 443.50 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfonylazetidin-3-yl)-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 118937530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).