1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one

C22H21F2N5O2 — CID 118937639

IUPAC1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
SMILESCC1(F)CN(C(=O)CN2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)C1
InChIInChI=1S/C22H21F2N5O2/c1-22(24)13-27(14-22)20(30)12-26-9-10-28(21(26)31)17-7-4-8-18-15(17)11-25-29(18)19-6-3-2-5-16(19)23/h2-8,11H,9-10,12-14H2,1H3
InChIKeyFDUBXBJERWAVTN-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.98
Rot. Bonds4

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

1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (PubChem CID 118937639) has the molecular formula C22H21F2N5O2 and a molecular weight of 425.44 g/mol. Its IUPAC name is 1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
PubChem CID118937639
Molecular FormulaC22H21F2N5O2
Molecular Weight425.44 g/mol
Exact Mass425.17
IUPAC Name1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
SMILESCC1(F)CN(C(=O)CN2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)C1
InChIInChI=1S/C22H21F2N5O2/c1-22(24)13-27(14-22)20(30)12-26-9-10-28(21(26)31)17-7-4-8-18-15(17)11-25-29(18)19-6-3-2-5-16(19)23/h2-8,11H,9-10,12-14H2,1H3
InChIKeyFDUBXBJERWAVTN-UHFFFAOYSA-N
XLogP2.98
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (CID 118937639) is 1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one is CC1(F)CN(C(=O)CN2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)C1.
What is the InChIKey of 1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The InChIKey is FDUBXBJERWAVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O2/c1-22(24)13-27(14-22)20(30)12-26-9-10-28(21(26)31)17-7-4-8-18-15(17)11-25-29(18)19-6-3-2-5-16(19)23/h2-8,11H,9-10,12-14H2,1H3.
What are the key properties of 1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one has a molecular weight of 425.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 118937639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).