1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one

C23H24FN5O3 — CID 118937537

IUPAC1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
SMILESCCC1(O)CN(C(=O)CN2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)C1
InChIInChI=1S/C23H24FN5O3/c1-2-23(32)14-27(15-23)21(30)13-26-10-11-28(22(26)31)18-8-5-9-19-16(18)12-25-29(19)20-7-4-3-6-17(20)24/h3-9,12,32H,2,10-11,13-15H2,1H3
InChIKeyFYEZCEZHRQTFMN-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.39
Rot. Bonds5

About 1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one

1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (PubChem CID 118937537) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
PubChem CID118937537
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
SMILESCCC1(O)CN(C(=O)CN2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)C1
InChIInChI=1S/C23H24FN5O3/c1-2-23(32)14-27(15-23)21(30)13-26-10-11-28(22(26)31)18-8-5-9-19-16(18)12-25-29(19)20-7-4-3-6-17(20)24/h3-9,12,32H,2,10-11,13-15H2,1H3
InChIKeyFYEZCEZHRQTFMN-UHFFFAOYSA-N
XLogP2.39
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
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
4-[1-(2-fluorophenyl)indazol-4-yl]-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 127047251
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (CID 118937537) is 1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one is CCC1(O)CN(C(=O)CN2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)C1.
What is the InChIKey of 1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The InChIKey is FYEZCEZHRQTFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-2-23(32)14-27(15-23)21(30)13-26-10-11-28(22(26)31)18-8-5-9-19-16(18)12-25-29(19)20-7-4-3-6-17(20)24/h3-9,12,32H,2,10-11,13-15H2,1H3.
What are the key properties of 1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one has a molecular weight of 437.48 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 118937537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).