[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone

C26H25N5O2 — CID 2319271

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1
InChIInChI=1S/C26H25N5O2/c1-33-24-12-6-5-11-23(24)29-14-16-30(17-15-29)26(32)22-19-31(21-9-3-2-4-10-21)28-25(22)20-8-7-13-27-18-20/h2-13,18-19H,14-17H2,1H3
InChIKeyMRHYRPLTDLYLAC-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.91
Rot. Bonds5

About [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone (PubChem CID 2319271) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
PubChem CID2319271
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1
InChIInChI=1S/C26H25N5O2/c1-33-24-12-6-5-11-23(24)29-14-16-30(17-15-29)26(32)22-19-31(21-9-3-2-4-10-21)28-25(22)20-8-7-13-27-18-20/h2-13,18-19H,14-17H2,1H3
InChIKeyMRHYRPLTDLYLAC-UHFFFAOYSA-N
XLogP3.91
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone 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 [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone (CID 2319271) is [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone is COc1ccccc1N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone?
The InChIKey is MRHYRPLTDLYLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-33-24-12-6-5-11-23(24)29-14-16-30(17-15-29)26(32)22-19-31(21-9-3-2-4-10-21)28-25(22)20-8-7-13-27-18-20/h2-13,18-19H,14-17H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone has a molecular weight of 439.52 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 2319271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).