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

C24H26FN5O2 — CID 118937657

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

1-[2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (PubChem CID 118937657) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 1-[2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
• PubChem CID: 118937657
• Molecular Formula: C24H26FN5O2
• Molecular Weight: 435.50 g/mol
• Exact Mass: 435.21
• IUPAC Name: 1-[2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
• SMILES: CC[C@H]1CCCN1C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
• InChI: 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/t17-/m0/s1
• InChIKey: SATBEMFZJZCMMB-KRWDZBQOSA-N
• XLogP: 3.81
• TPSA: 61.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.50
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (CID 118937657) is 1-[2-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.

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

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

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

The InChIKey is SATBEMFZJZCMMB-KRWDZBQOSA-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/t17-/m0/s1.

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

1-[2-[(2S)-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-[(2S)-2-ethylpyrrolidin-1-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 118937657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).