4-[1-(2-fluorophenyl)indazol-4-yl]-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one

C23H23F2N5O2 — CID 127047251

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

4-[1-(2-fluorophenyl)indazol-4-yl]-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 127047251) has the molecular formula C23H23F2N5O2 and a molecular weight of 439.47 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)indazol-4-yl]-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

• Compound Name: 4-[1-(2-fluorophenyl)indazol-4-yl]-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one
• PubChem CID: 127047251
• Molecular Formula: C23H23F2N5O2
• Molecular Weight: 439.47 g/mol
• Exact Mass: 439.18
• IUPAC Name: 4-[1-(2-fluorophenyl)indazol-4-yl]-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one
• SMILES: O=C1CN(c2cccc3c2cnn3-c2ccccc2F)CCN1CC(=O)N1CC[C@H](F)C1
• InChI: InChI=1S/C23H23F2N5O2/c24-16-8-9-28(13-16)23(32)15-29-11-10-27(14-22(29)31)19-6-3-7-20-17(19)12-26-30(20)21-5-2-1-4-18(21)25/h1-7,12,16H,8-11,13-15H2/t16-/m0/s1
• InChIKey: SYLLWFIHDZDGIO-INIZCTEOSA-N
• XLogP: 2.38
• TPSA: 61.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.47
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[1-(2-fluorophenyl)indazol-4-yl]-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one (CID 127047251) is 4-[1-(2-fluorophenyl)indazol-4-yl]-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one.

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

The canonical SMILES for 4-[1-(2-fluorophenyl)indazol-4-yl]-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one is O=C1CN(c2cccc3c2cnn3-c2ccccc2F)CCN1CC(=O)N1CC[C@H](F)C1.

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

The InChIKey is SYLLWFIHDZDGIO-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23F2N5O2/c24-16-8-9-28(13-16)23(32)15-29-11-10-27(14-22(29)31)19-6-3-7-20-17(19)12-26-30(20)21-5-2-1-4-18(21)25/h1-7,12,16H,8-11,13-15H2/t16-/m0/s1.

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

4-[1-(2-fluorophenyl)indazol-4-yl]-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 439.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(2-fluorophenyl)indazol-4-yl]-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 127047251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).