1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione

C24H19F2N5O2 — CID 110544804

IUPAC1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)=C(N2CCN(c3ncccn3)CC2)C(=O)N1c1ccccc1F
InChIInChI=1S/C24H19F2N5O2/c25-17-8-6-16(7-9-17)20-21(23(33)31(22(20)32)19-5-2-1-4-18(19)26)29-12-14-30(15-13-29)24-27-10-3-11-28-24/h1-11H,12-15H2
InChIKeyKOZONBYHKSLTEW-UHFFFAOYSA-N
MW447.45 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione

1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione (PubChem CID 110544804) has the molecular formula C24H19F2N5O2 and a molecular weight of 447.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
PubChem CID110544804
Molecular FormulaC24H19F2N5O2
Molecular Weight447.45 g/mol
Exact Mass447.15
IUPAC Name1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)=C(N2CCN(c3ncccn3)CC2)C(=O)N1c1ccccc1F
InChIInChI=1S/C24H19F2N5O2/c25-17-8-6-16(7-9-17)20-21(23(33)31(22(20)32)19-5-2-1-4-18(19)26)29-12-14-30(15-13-29)24-27-10-3-11-28-24/h1-11H,12-15H2
InChIKeyKOZONBYHKSLTEW-UHFFFAOYSA-N
XLogP2.86
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110544647
3-(4-fluorophenyl)-1-(pyridin-2-ylmethyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110543503
1-(2-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110560663
3-(4-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110570511
1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110545047
1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560657
1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110544563
1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110544646
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452
1-(2-methylphenyl)-3-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110574602
1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110557240
3-(4-fluorophenyl)-1-(3-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110545318

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione (CID 110544804) is 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione is O=C1C(c2ccc(F)cc2)=C(N2CCN(c3ncccn3)CC2)C(=O)N1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione?
The InChIKey is KOZONBYHKSLTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O2/c25-17-8-6-16(7-9-17)20-21(23(33)31(22(20)32)19-5-2-1-4-18(19)26)29-12-14-30(15-13-29)24-27-10-3-11-28-24/h1-11H,12-15H2.
What are the key properties of 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione?
1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione has a molecular weight of 447.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 110544804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).