propan-2-yl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate

C20H19FN4O3 — CID 118937589

IUPACpropan-2-yl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C20H19FN4O3/c1-13(2)28-20(27)24-11-10-23(19(24)26)16-8-5-9-17-14(16)12-22-25(17)18-7-4-3-6-15(18)21/h3-9,12-13H,10-11H2,1-2H3
InChIKeyJWDYVXBLOYZJLX-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.95
Rot. Bonds3

About propan-2-yl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate

propan-2-yl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate (PubChem CID 118937589) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is propan-2-yl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate
PubChem CID118937589
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Namepropan-2-yl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C20H19FN4O3/c1-13(2)28-20(27)24-11-10-23(19(24)26)16-8-5-9-17-14(16)12-22-25(17)18-7-4-3-6-15(18)21/h3-9,12-13H,10-11H2,1-2H3
InChIKeyJWDYVXBLOYZJLX-UHFFFAOYSA-N
XLogP3.95
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate?
The IUPAC name of propan-2-yl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate (CID 118937589) is propan-2-yl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate?
The canonical SMILES for propan-2-yl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate is CC(C)OC(=O)N1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.
What is the InChIKey of propan-2-yl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate?
The InChIKey is JWDYVXBLOYZJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-13(2)28-20(27)24-11-10-23(19(24)26)16-8-5-9-17-14(16)12-22-25(17)18-7-4-3-6-15(18)21/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of propan-2-yl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate?
propan-2-yl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate has a molecular weight of 382.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 118937589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).