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

C24H26FN5O2 — CID 118937857

IUPAC1-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
SMILESCCC1CCCN1C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C24H26FN5O2/c1-2-17-7-6-12-28(17)23(31)16-27-13-14-29(24(27)32)20-10-5-11-21-18(20)15-26-30(21)22-9-4-3-8-19(22)25/h3-5,8-11,15,17H,2,6-7,12-14,16H2,1H3
InChIKeySATBEMFZJZCMMB-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.81
Rot. Bonds5

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

1-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (PubChem CID 118937857) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 1-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
PubChem CID118937857
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name1-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
SMILESCCC1CCCN1C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C24H26FN5O2/c1-2-17-7-6-12-28(17)23(31)16-27-13-14-29(24(27)32)20-10-5-11-21-18(20)15-26-30(21)22-9-4-3-8-19(22)25/h3-5,8-11,15,17H,2,6-7,12-14,16H2,1H3
InChIKeySATBEMFZJZCMMB-UHFFFAOYSA-N
XLogP3.81
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.81
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (CID 118937857) is 1-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one is CCC1CCCN1C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.
What is the InChIKey of 1-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The InChIKey is SATBEMFZJZCMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-2-17-7-6-12-28(17)23(31)16-27-13-14-29(24(27)32)20-10-5-11-21-18(20)15-26-30(21)22-9-4-3-8-19(22)25/h3-5,8-11,15,17H,2,6-7,12-14,16H2,1H3.
What are the key properties of 1-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
1-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one has a molecular weight of 435.50 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 118937857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).