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

C21H21FN4O3 — CID 118937698

IUPAC2-methylpropyl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C21H21FN4O3/c1-14(2)13-29-21(28)25-11-10-24(20(25)27)17-8-5-9-18-15(17)12-23-26(18)19-7-4-3-6-16(19)22/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyFDMPUHDISMOMNB-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.20
Rot. Bonds4

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

2-methylpropyl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate (PubChem CID 118937698) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-methylpropyl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate
PubChem CID118937698
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name2-methylpropyl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C21H21FN4O3/c1-14(2)13-29-21(28)25-11-10-24(20(25)27)17-8-5-9-18-15(17)12-23-26(18)19-7-4-3-6-16(19)22/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyFDMPUHDISMOMNB-UHFFFAOYSA-N
XLogP4.20
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
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
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]imidazolidin-2-one
CID 118937903
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 2-methylpropyl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate (CID 118937698) is 2-methylpropyl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate is CC(C)COC(=O)N1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.
What is the InChIKey of 2-methylpropyl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate?
The InChIKey is FDMPUHDISMOMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-14(2)13-29-21(28)25-11-10-24(20(25)27)17-8-5-9-18-15(17)12-23-26(18)19-7-4-3-6-16(19)22/h3-9,12,14H,10-11,13H2,1-2H3.
What are the key properties of 2-methylpropyl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate?
2-methylpropyl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate has a molecular weight of 396.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 118937698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).