1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidin-2-one

C28H26FN5O2 — CID 118937532

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidin-2-one
SMILESO=C1N(CC(=O)N2CCCC2c2ccccc2)CCN1c1cccc2c1cnn2-c1ccccc1F
InChIInChI=1S/C28H26FN5O2/c29-22-10-4-5-11-26(22)34-25-13-6-12-24(21(25)18-30-34)33-17-16-31(28(33)36)19-27(35)32-15-7-14-23(32)20-8-2-1-3-9-20/h1-6,8-13,18,23H,7,14-17,19H2
InChIKeyPVBPVBVGMPBVTO-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.77
Rot. Bonds5

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

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidin-2-one (PubChem CID 118937532) has the molecular formula C28H26FN5O2 and a molecular weight of 483.55 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidin-2-one
PubChem CID118937532
Molecular FormulaC28H26FN5O2
Molecular Weight483.55 g/mol
Exact Mass483.21
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidin-2-one
SMILESO=C1N(CC(=O)N2CCCC2c2ccccc2)CCN1c1cccc2c1cnn2-c1ccccc1F
InChIInChI=1S/C28H26FN5O2/c29-22-10-4-5-11-26(22)34-25-13-6-12-24(21(25)18-30-34)33-17-16-31(28(33)36)19-27(35)32-15-7-14-23(32)20-8-2-1-3-9-20/h1-6,8-13,18,23H,7,14-17,19H2
InChIKeyPVBPVBVGMPBVTO-UHFFFAOYSA-N
XLogP4.77
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.77
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-(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
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl}imidazolidin-2-one
CID 118937930
4-[1-(2-fluorophenyl)indazol-4-yl]-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 127047251

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidin-2-one (CID 118937532) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidin-2-one is O=C1N(CC(=O)N2CCCC2c2ccccc2)CCN1c1cccc2c1cnn2-c1ccccc1F.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidin-2-one?
The InChIKey is PVBPVBVGMPBVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2/c29-22-10-4-5-11-26(22)34-25-13-6-12-24(21(25)18-30-34)33-17-16-31(28(33)36)19-27(35)32-15-7-14-23(32)20-8-2-1-3-9-20/h1-6,8-13,18,23H,7,14-17,19H2.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidin-2-one has a molecular weight of 483.55 g/mol, XLogP of 4.77, 5 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-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 118937532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).