2-[4-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]piperazin-1-yl]pyrimidine

C26H24FN5O — CID 139382225

IUPAC2-[4-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(c3ncccn3)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C26H24FN5O/c1-19-17-22(31-13-15-32(16-14-31)26-28-11-2-12-29-26)18-25(30-19)20-3-7-23(8-4-20)33-24-9-5-21(27)6-10-24/h2-12,17-18H,13-16H2,1H3
InChIKeyPPXNNZSPHFXUEM-UHFFFAOYSA-N
MW441.51 g/mol
LogP5.11
Rot. Bonds5

About 2-[4-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]piperazin-1-yl]pyrimidine

2-[4-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]piperazin-1-yl]pyrimidine (PubChem CID 139382225) has the molecular formula C26H24FN5O and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-[4-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]piperazin-1-yl]pyrimidine
PubChem CID139382225
Molecular FormulaC26H24FN5O
Molecular Weight441.51 g/mol
Exact Mass441.20
IUPAC Name2-[4-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(c3ncccn3)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C26H24FN5O/c1-19-17-22(31-13-15-32(16-14-31)26-28-11-2-12-29-26)18-25(30-19)20-3-7-23(8-4-20)33-24-9-5-21(27)6-10-24/h2-12,17-18H,13-16H2,1H3
InChIKeyPPXNNZSPHFXUEM-UHFFFAOYSA-N
XLogP5.11
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]piperazin-1-yl]pyrimidine 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 2-[4-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]piperazin-1-yl]pyrimidine (CID 139382225) is 2-[4-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]piperazin-1-yl]pyrimidine is Cc1cc(N2CCN(c3ncccn3)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 2-[4-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]piperazin-1-yl]pyrimidine?
The InChIKey is PPXNNZSPHFXUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O/c1-19-17-22(31-13-15-32(16-14-31)26-28-11-2-12-29-26)18-25(30-19)20-3-7-23(8-4-20)33-24-9-5-21(27)6-10-24/h2-12,17-18H,13-16H2,1H3.
What are the key properties of 2-[4-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]piperazin-1-yl]pyrimidine?
2-[4-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]piperazin-1-yl]pyrimidine has a molecular weight of 441.51 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(4-fluorophenoxy)phenyl]-6-methyl-4-pyridinyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 139382225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).