1-[[3-(2-fluorophenyl)-4-pyridin-4-ylphenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine

C26H26FN5 — CID 91148842

IUPAC1-[[3-(2-fluorophenyl)-4-pyridin-4-ylphenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(C(c2cn[nH]c2)c2ccc(-c3ccncc3)c(-c3ccccc3F)c2)CC1
InChIInChI=1S/C26H26FN5/c1-31-12-14-32(15-13-31)26(21-17-29-30-18-21)20-6-7-22(19-8-10-28-11-9-19)24(16-20)23-4-2-3-5-25(23)27/h2-11,16-18,26H,12-15H2,1H3,(H,29,30)
InChIKeyPIHQFVNPYJSAHR-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.61
Rot. Bonds5

About 1-[[3-(2-fluorophenyl)-4-pyridin-4-ylphenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine

1-[[3-(2-fluorophenyl)-4-pyridin-4-ylphenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine (PubChem CID 91148842) has the molecular formula C26H26FN5 and a molecular weight of 427.53 g/mol. Its IUPAC name is 1-[[3-(2-fluorophenyl)-4-pyridin-4-ylphenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[3-(2-fluorophenyl)-4-pyridin-4-ylphenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine
PubChem CID91148842
Molecular FormulaC26H26FN5
Molecular Weight427.53 g/mol
Exact Mass427.22
IUPAC Name1-[[3-(2-fluorophenyl)-4-pyridin-4-ylphenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(C(c2cn[nH]c2)c2ccc(-c3ccncc3)c(-c3ccccc3F)c2)CC1
InChIInChI=1S/C26H26FN5/c1-31-12-14-32(15-13-31)26(21-17-29-30-18-21)20-6-7-22(19-8-10-28-11-9-19)24(16-20)23-4-2-3-5-25(23)27/h2-11,16-18,26H,12-15H2,1H3,(H,29,30)
InChIKeyPIHQFVNPYJSAHR-UHFFFAOYSA-N
XLogP4.61
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(2-fluorophenyl)-4-pyridin-4-ylphenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine 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-[[3-(2-fluorophenyl)-4-pyridin-4-ylphenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[[3-(2-fluorophenyl)-4-pyridin-4-ylphenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine (CID 91148842) is 1-[[3-(2-fluorophenyl)-4-pyridin-4-ylphenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[3-(2-fluorophenyl)-4-pyridin-4-ylphenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[3-(2-fluorophenyl)-4-pyridin-4-ylphenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine is CN1CCN(C(c2cn[nH]c2)c2ccc(-c3ccncc3)c(-c3ccccc3F)c2)CC1.
What is the InChIKey of 1-[[3-(2-fluorophenyl)-4-pyridin-4-ylphenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine?
The InChIKey is PIHQFVNPYJSAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5/c1-31-12-14-32(15-13-31)26(21-17-29-30-18-21)20-6-7-22(19-8-10-28-11-9-19)24(16-20)23-4-2-3-5-25(23)27/h2-11,16-18,26H,12-15H2,1H3,(H,29,30).
What are the key properties of 1-[[3-(2-fluorophenyl)-4-pyridin-4-ylphenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine?
1-[[3-(2-fluorophenyl)-4-pyridin-4-ylphenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine has a molecular weight of 427.53 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-fluorophenyl)-4-pyridin-4-ylphenyl]-(1H-pyrazol-4-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 91148842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).