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

C21H20FN5O3 — CID 118937558

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC(O)C1
InChIInChI=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
InChIKeyWHLBDMXDGIDZKV-UHFFFAOYSA-N
MW409.42 g/mol
LogP1.61
Rot. Bonds4

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 Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one
PubChem CID118937558
Molecular FormulaC21H20FN5O3
Molecular Weight409.42 g/mol
Exact Mass409.16
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC(O)C1
InChIInChI=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
InChIKeyWHLBDMXDGIDZKV-UHFFFAOYSA-N
XLogP1.61
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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).