[4-(2,4-difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone

C22H20F2N4O — CID 50938772

IUPAC[4-(2,4-difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone
SMILESCc1cc(-c2ccccc2)nnc1C(=O)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C22H20F2N4O/c1-15-13-19(16-5-3-2-4-6-16)25-26-21(15)22(29)28-11-9-27(10-12-28)20-8-7-17(23)14-18(20)24/h2-8,13-14H,9-12H2,1H3
InChIKeyJMFNMQSOJKSTKE-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.69
Rot. Bonds3

About [4-(2,4-difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone

[4-(2,4-difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone (PubChem CID 50938772) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone
PubChem CID50938772
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name[4-(2,4-difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone
SMILESCc1cc(-c2ccccc2)nnc1C(=O)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C22H20F2N4O/c1-15-13-19(16-5-3-2-4-6-16)25-26-21(15)22(29)28-11-9-27(10-12-28)20-8-7-17(23)14-18(20)24/h2-8,13-14H,9-12H2,1H3
InChIKeyJMFNMQSOJKSTKE-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,4-difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-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-(2,4-difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone?
The IUPAC name of [4-(2,4-difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone (CID 50938772) is [4-(2,4-difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone.
What is the SMILES notation for [4-(2,4-difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone?
The canonical SMILES for [4-(2,4-difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone is Cc1cc(-c2ccccc2)nnc1C(=O)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of [4-(2,4-difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone?
The InChIKey is JMFNMQSOJKSTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c1-15-13-19(16-5-3-2-4-6-16)25-26-21(15)22(29)28-11-9-27(10-12-28)20-8-7-17(23)14-18(20)24/h2-8,13-14H,9-12H2,1H3.
What are the key properties of [4-(2,4-difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone?
[4-(2,4-difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone has a molecular weight of 394.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone is sourced from PubChem (CID 50938772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).