[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone

C22H21FN4O — CID 50938771

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone
SMILESCc1cc(-c2ccccc2)nnc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H21FN4O/c1-16-15-20(17-5-3-2-4-6-17)24-25-21(16)22(28)27-13-11-26(12-14-27)19-9-7-18(23)8-10-19/h2-10,15H,11-14H2,1H3
InChIKeyHVINEMIENPEMIF-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.55
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone (PubChem CID 50938771) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone
PubChem CID50938771
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone
SMILESCc1cc(-c2ccccc2)nnc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H21FN4O/c1-16-15-20(17-5-3-2-4-6-17)24-25-21(16)22(28)27-13-11-26(12-14-27)19-9-7-18(23)8-10-19/h2-10,15H,11-14H2,1H3
InChIKeyHVINEMIENPEMIF-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone (CID 50938771) is [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone is Cc1cc(-c2ccccc2)nnc1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone?
The InChIKey is HVINEMIENPEMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-16-15-20(17-5-3-2-4-6-17)24-25-21(16)22(28)27-13-11-26(12-14-27)19-9-7-18(23)8-10-19/h2-10,15H,11-14H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone has a molecular weight of 376.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-6-phenylpyridazin-3-yl)methanone is sourced from PubChem (CID 50938771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).