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

C21H20FN5O3 — CID 118937558

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

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one (PubChem CID 118937558) has the molecular formula C21H20FN5O3 and a molecular weight of 409.42 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one
• PubChem CID: 118937558
• Molecular Formula: C21H20FN5O3
• Molecular Weight: 409.42 g/mol
• Exact Mass: 409.16
• IUPAC Name: 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one
• SMILES: O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC(O)C1
• InChI: InChI=1S/C21H20FN5O3/c22-16-4-1-2-5-19(16)27-18-7-3-6-17(15(18)10-23-27)26-9-8-24(21(26)30)13-20(29)25-11-14(28)12-25/h1-7,10,14,28H,8-9,11-13H2
• InChIKey: WHLBDMXDGIDZKV-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 81.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.42
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one?

The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one (CID 118937558) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one.

What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one?

The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one is O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC(O)C1.

What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one?

The InChIKey is WHLBDMXDGIDZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O3/c22-16-4-1-2-5-19(16)27-18-7-3-6-17(15(18)10-23-27)26-9-8-24(21(26)30)13-20(29)25-11-14(28)12-25/h1-7,10,14,28H,8-9,11-13H2.

What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one?

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one has a molecular weight of 409.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 118937558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).