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

C25H28FN5O2 — CID 118937753

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]imidazolidin-2-one
SMILESCC(C)C1CCCN1C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C25H28FN5O2/c1-17(2)20-11-6-12-29(20)24(32)16-28-13-14-30(25(28)33)21-9-5-10-22-18(21)15-27-31(22)23-8-4-3-7-19(23)26/h3-5,7-10,15,17,20H,6,11-14,16H2,1-2H3
InChIKeyTVEDCPCPFDXYDD-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.05
Rot. Bonds5

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

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]imidazolidin-2-one (PubChem CID 118937753) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]imidazolidin-2-one
PubChem CID118937753
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]imidazolidin-2-one
SMILESCC(C)C1CCCN1C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C25H28FN5O2/c1-17(2)20-11-6-12-29(20)24(32)16-28-13-14-30(25(28)33)21-9-5-10-22-18(21)15-27-31(22)23-8-4-3-7-19(23)26/h3-5,7-10,15,17,20H,6,11-14,16H2,1-2H3
InChIKeyTVEDCPCPFDXYDD-UHFFFAOYSA-N
XLogP4.05
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]imidazolidin-2-one (CID 118937753) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]imidazolidin-2-one is CC(C)C1CCCN1C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]imidazolidin-2-one?
The InChIKey is TVEDCPCPFDXYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2/c1-17(2)20-11-6-12-29(20)24(32)16-28-13-14-30(25(28)33)21-9-5-10-22-18(21)15-27-31(22)23-8-4-3-7-19(23)26/h3-5,7-10,15,17,20H,6,11-14,16H2,1-2H3.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]imidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]imidazolidin-2-one has a molecular weight of 449.53 g/mol, XLogP of 4.05, 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-propan-2-ylpyrrolidin-1-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 118937753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).