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

C23H24FN5O2 — CID 118937896

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

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one (PubChem CID 118937896) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
• PubChem CID: 118937896
• Molecular Formula: C23H24FN5O2
• Molecular Weight: 421.48 g/mol
• Exact Mass: 421.19
• IUPAC Name: 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
• SMILES: C[C@H]1CCCN1C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
• InChI: InChI=1S/C23H24FN5O2/c1-16-6-5-11-27(16)22(30)15-26-12-13-28(23(26)31)19-9-4-10-20-17(19)14-25-29(20)21-8-3-2-7-18(21)24/h2-4,7-10,14,16H,5-6,11-13,15H2,1H3/t16-/m0/s1
• InChIKey: YLELLJBJHGZZKH-INIZCTEOSA-N
• XLogP: 3.42
• TPSA: 61.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.48
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?

The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one (CID 118937896) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one.

What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?

The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one is C[C@H]1CCCN1C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.

What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?

The InChIKey is YLELLJBJHGZZKH-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-16-6-5-11-27(16)22(30)15-26-12-13-28(23(26)31)19-9-4-10-20-17(19)14-25-29(20)21-8-3-2-7-18(21)24/h2-4,7-10,14,16H,5-6,11-13,15H2,1H3/t16-/m0/s1.

What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one has a molecular weight of 421.48 g/mol, XLogP of 3.42, 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-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 118937896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).