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

C23H24FN5O3S — CID 118937535

IUPAC1-[1-(cyclopropylmethylsulfonyl)azetidin-3-yl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
SMILESO=C1N(c2cccc3c2cnn3-c2ccccc2F)CCN1C1CN(S(=O)(=O)CC2CC2)C1
InChIInChI=1S/C23H24FN5O3S/c24-19-4-1-2-5-22(19)29-21-7-3-6-20(18(21)12-25-29)28-11-10-27(23(28)30)17-13-26(14-17)33(31,32)15-16-8-9-16/h1-7,12,16-17H,8-11,13-15H2
InChIKeyRJXCGMOSLDADGQ-UHFFFAOYSA-N
MW469.54 g/mol
LogP2.83
Rot. Bonds6

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

1-[1-(cyclopropylmethylsulfonyl)azetidin-3-yl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (PubChem CID 118937535) has the molecular formula C23H24FN5O3S and a molecular weight of 469.54 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethylsulfonyl)azetidin-3-yl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(cyclopropylmethylsulfonyl)azetidin-3-yl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
PubChem CID118937535
Molecular FormulaC23H24FN5O3S
Molecular Weight469.54 g/mol
Exact Mass469.16
IUPAC Name1-[1-(cyclopropylmethylsulfonyl)azetidin-3-yl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
SMILESO=C1N(c2cccc3c2cnn3-c2ccccc2F)CCN1C1CN(S(=O)(=O)CC2CC2)C1
InChIInChI=1S/C23H24FN5O3S/c24-19-4-1-2-5-22(19)29-21-7-3-6-20(18(21)12-25-29)28-11-10-27(23(28)30)17-13-26(14-17)33(31,32)15-16-8-9-16/h1-7,12,16-17H,8-11,13-15H2
InChIKeyRJXCGMOSLDADGQ-UHFFFAOYSA-N
XLogP2.83
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(cyclopropylmethylsulfonyl)azetidin-3-yl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one with MolForge

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Related Compounds

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-{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
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-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-3-fluoropiperidin-1-yl]-2-oxoethyl}imidazolidin-2-one
CID 118937716
US9783527, Example 205
CID 118937537
US9783527, Example 322
CID 118937602
1-(Cyclopropylmethyl)-3-[1-
CID 118937633
1-[2-(3-Fluoro-3-
CID 118937639
1-{2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoethyl}-3-[1-(2-fluorophenyl)-1H-indazol-4-yl]imidazolidin-2-one
CID 118937657

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethylsulfonyl)azetidin-3-yl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(cyclopropylmethylsulfonyl)azetidin-3-yl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (CID 118937535) is 1-[1-(cyclopropylmethylsulfonyl)azetidin-3-yl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(cyclopropylmethylsulfonyl)azetidin-3-yl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(cyclopropylmethylsulfonyl)azetidin-3-yl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one is O=C1N(c2cccc3c2cnn3-c2ccccc2F)CCN1C1CN(S(=O)(=O)CC2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethylsulfonyl)azetidin-3-yl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The InChIKey is RJXCGMOSLDADGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3S/c24-19-4-1-2-5-22(19)29-21-7-3-6-20(18(21)12-25-29)28-11-10-27(23(28)30)17-13-26(14-17)33(31,32)15-16-8-9-16/h1-7,12,16-17H,8-11,13-15H2.
What are the key properties of 1-[1-(cyclopropylmethylsulfonyl)azetidin-3-yl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
1-[1-(cyclopropylmethylsulfonyl)azetidin-3-yl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one has a molecular weight of 469.54 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethylsulfonyl)azetidin-3-yl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 118937535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).