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

C22H22FN5O3 — CID 118937784

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

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one (PubChem CID 118937784) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
• PubChem CID: 118937784
• Molecular Formula: C22H22FN5O3
• Molecular Weight: 423.45 g/mol
• Exact Mass: 423.17
• IUPAC Name: 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
• SMILES: O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC[C@H](O)C1
• InChI: InChI=1S/C22H22FN5O3/c23-17-4-1-2-5-20(17)28-19-7-3-6-18(16(19)12-24-28)27-11-10-26(22(27)31)14-21(30)25-9-8-15(29)13-25/h1-7,12,15,29H,8-11,13-14H2/t15-/m0/s1
• InChIKey: GROVRLXOCLXUMV-HNNXBMFYSA-N
• XLogP: 2.00
• TPSA: 81.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.45
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one (CID 118937784) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one.

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

The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one is O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC[C@H](O)C1.

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

The InChIKey is GROVRLXOCLXUMV-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c23-17-4-1-2-5-20(17)28-19-7-3-6-18(16(19)12-24-28)27-11-10-26(22(27)31)14-21(30)25-9-8-15(29)13-25/h1-7,12,15,29H,8-11,13-14H2/t15-/m0/s1.

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

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one has a molecular weight of 423.45 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 118937784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).