tert-butyl 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetate

C22H23FN4O3 — CID 118937703

IUPACtert-butyl 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C22H23FN4O3/c1-22(2,3)30-20(28)14-25-11-12-26(21(25)29)17-9-6-10-18-15(17)13-24-27(18)19-8-5-4-7-16(19)23/h4-10,13H,11-12,14H2,1-3H3
InChIKeyRYBDJGKSQNVFFF-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.75
Rot. Bonds4

About tert-butyl 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetate

tert-butyl 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetate (PubChem CID 118937703) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is tert-butyl 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetate
PubChem CID118937703
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Nametert-butyl 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C22H23FN4O3/c1-22(2,3)30-20(28)14-25-11-12-26(21(25)29)17-9-6-10-18-15(17)13-24-27(18)19-8-5-4-7-16(19)23/h4-10,13H,11-12,14H2,1-3H3
InChIKeyRYBDJGKSQNVFFF-UHFFFAOYSA-N
XLogP3.75
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetate (CID 118937703) is tert-butyl 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetate is CC(C)(C)OC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.
What is the InChIKey of tert-butyl 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetate?
The InChIKey is RYBDJGKSQNVFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-22(2,3)30-20(28)14-25-11-12-26(21(25)29)17-9-6-10-18-15(17)13-24-27(18)19-8-5-4-7-16(19)23/h4-10,13H,11-12,14H2,1-3H3.
What are the key properties of tert-butyl 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetate?
tert-butyl 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetate has a molecular weight of 410.45 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 118937703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).