1-[1-(2-fluorophenyl)indazol-4-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one

C22H22FN5O2 — CID 118937903

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CCCC1
InChIInChI=1S/C22H22FN5O2/c23-17-6-1-2-7-20(17)28-19-9-5-8-18(16(19)14-24-28)27-13-12-26(22(27)30)15-21(29)25-10-3-4-11-25/h1-2,5-9,14H,3-4,10-13,15H2
InChIKeyWDZXHUWJTRJVTF-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.03
Rot. Bonds4

About 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one

1-[1-(2-fluorophenyl)indazol-4-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one (PubChem CID 118937903) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one
PubChem CID118937903
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CCCC1
InChIInChI=1S/C22H22FN5O2/c23-17-6-1-2-7-20(17)28-19-9-5-8-18(16(19)14-24-28)27-13-12-26(22(27)30)15-21(29)25-10-3-4-11-25/h1-2,5-9,14H,3-4,10-13,15H2
InChIKeyWDZXHUWJTRJVTF-UHFFFAOYSA-N
XLogP3.03
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-tert-butyl-1-(3,4-difluorophenyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 162647847
1-[[3-Tert-butyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162655621
1-[[3-Tert-butyl-1-(3,4-difluorophenyl)pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162671174
4-(4-fluorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205150
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-[(6-methylpyrazin-2-yl)methyl]imidazolidin-2-one
CID 118937656
2-{3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidin-1-yl}acetamide
CID 118937664
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(pyridin-4-yl)imidazolidin-2-one
CID 118937702
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl}imidazolidin-2-one
CID 118937760
N-cyclopropyl-2-{3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidin-1-yl}acetamide
CID 118937849
tert-butyl 3-[1-(2-fluorophenyl)-1H-indazol-4-yl]-2-oxoimidazolidine-1-carboxylate
CID 118937913
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(4-methyl-2-oxopentyl)imidazolidin-2-one
CID 118937925
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl}imidazolidin-2-one
CID 118937930

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one (CID 118937903) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one is O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CCCC1.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one?
The InChIKey is WDZXHUWJTRJVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c23-17-6-1-2-7-20(17)28-19-9-5-8-18(16(19)14-24-28)27-13-12-26(22(27)30)15-21(29)25-10-3-4-11-25/h1-2,5-9,14H,3-4,10-13,15H2.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one has a molecular weight of 407.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one is sourced from PubChem (CID 118937903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).