[1-[2-(4-fluorophenyl)acetyl]-2-phenylmethoxycarbonylpyrazolidin-4-yl] morpholine-4-carboxylate

C24H26FN3O6 — CID 20724738

IUPAC[1-[2-(4-fluorophenyl)acetyl]-2-phenylmethoxycarbonylpyrazolidin-4-yl] morpholine-4-carboxylate
SMILESO=C(OC1CN(C(=O)Cc2ccc(F)cc2)N(C(=O)OCc2ccccc2)C1)N1CCOCC1
InChIInChI=1S/C24H26FN3O6/c25-20-8-6-18(7-9-20)14-22(29)27-15-21(34-23(30)26-10-12-32-13-11-26)16-28(27)24(31)33-17-19-4-2-1-3-5-19/h1-9,21H,10-17H2
InChIKeyANEDSOHLDQAVDN-UHFFFAOYSA-N
MW471.49 g/mol
LogP2.60
Rot. Bonds5

About [1-[2-(4-fluorophenyl)acetyl]-2-phenylmethoxycarbonylpyrazolidin-4-yl] morpholine-4-carboxylate

[1-[2-(4-fluorophenyl)acetyl]-2-phenylmethoxycarbonylpyrazolidin-4-yl] morpholine-4-carboxylate (PubChem CID 20724738) has the molecular formula C24H26FN3O6 and a molecular weight of 471.49 g/mol. Its IUPAC name is [1-[2-(4-fluorophenyl)acetyl]-2-phenylmethoxycarbonylpyrazolidin-4-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[1-[2-(4-fluorophenyl)acetyl]-2-phenylmethoxycarbonylpyrazolidin-4-yl] morpholine-4-carboxylate
PubChem CID20724738
Molecular FormulaC24H26FN3O6
Molecular Weight471.49 g/mol
Exact Mass471.18
IUPAC Name[1-[2-(4-fluorophenyl)acetyl]-2-phenylmethoxycarbonylpyrazolidin-4-yl] morpholine-4-carboxylate
SMILESO=C(OC1CN(C(=O)Cc2ccc(F)cc2)N(C(=O)OCc2ccccc2)C1)N1CCOCC1
InChIInChI=1S/C24H26FN3O6/c25-20-8-6-18(7-9-20)14-22(29)27-15-21(34-23(30)26-10-12-32-13-11-26)16-28(27)24(31)33-17-19-4-2-1-3-5-19/h1-9,21H,10-17H2
InChIKeyANEDSOHLDQAVDN-UHFFFAOYSA-N
XLogP2.60
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[2-(4-fluorophenyl)acetyl]-2-phenylmethoxycarbonylpyrazolidin-4-yl] morpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-fluorophenyl)acetyl]-2-phenylmethoxycarbonylpyrazolidin-4-yl] morpholine-4-carboxylate?
The IUPAC name of [1-[2-(4-fluorophenyl)acetyl]-2-phenylmethoxycarbonylpyrazolidin-4-yl] morpholine-4-carboxylate (CID 20724738) is [1-[2-(4-fluorophenyl)acetyl]-2-phenylmethoxycarbonylpyrazolidin-4-yl] morpholine-4-carboxylate.
What is the SMILES notation for [1-[2-(4-fluorophenyl)acetyl]-2-phenylmethoxycarbonylpyrazolidin-4-yl] morpholine-4-carboxylate?
The canonical SMILES for [1-[2-(4-fluorophenyl)acetyl]-2-phenylmethoxycarbonylpyrazolidin-4-yl] morpholine-4-carboxylate is O=C(OC1CN(C(=O)Cc2ccc(F)cc2)N(C(=O)OCc2ccccc2)C1)N1CCOCC1.
What is the InChIKey of [1-[2-(4-fluorophenyl)acetyl]-2-phenylmethoxycarbonylpyrazolidin-4-yl] morpholine-4-carboxylate?
The InChIKey is ANEDSOHLDQAVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O6/c25-20-8-6-18(7-9-20)14-22(29)27-15-21(34-23(30)26-10-12-32-13-11-26)16-28(27)24(31)33-17-19-4-2-1-3-5-19/h1-9,21H,10-17H2.
What are the key properties of [1-[2-(4-fluorophenyl)acetyl]-2-phenylmethoxycarbonylpyrazolidin-4-yl] morpholine-4-carboxylate?
[1-[2-(4-fluorophenyl)acetyl]-2-phenylmethoxycarbonylpyrazolidin-4-yl] morpholine-4-carboxylate has a molecular weight of 471.49 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-fluorophenyl)acetyl]-2-phenylmethoxycarbonylpyrazolidin-4-yl] morpholine-4-carboxylate is sourced from PubChem (CID 20724738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).