[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone

C22H22N4O2 — CID 16883350

IUPAC[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nn1
InChIInChI=1S/C22H22N4O2/c1-28-21-12-11-20(23-24-21)25-13-15-26(16-14-25)22(27)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12H,13-16H2,1H3
InChIKeyXWUQNEUUGQHMLD-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.11
Rot. Bonds4

About [4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone

[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 16883350) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
PubChem CID16883350
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nn1
InChIInChI=1S/C22H22N4O2/c1-28-21-12-11-20(23-24-21)25-13-15-26(16-14-25)22(27)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12H,13-16H2,1H3
InChIKeyXWUQNEUUGQHMLD-UHFFFAOYSA-N
XLogP3.11
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341423
[4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 134801691
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334454
(2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883324
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
furan-2-yl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883392
[4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 119072911
(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883306
[4-(6-methoxypyridazin-3-yl)phenyl]-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 134802267
(4-methoxyphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053460
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423

Frequently Asked Questions

What is the IUPAC name of [4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone (CID 16883350) is [4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone is COc1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nn1.
What is the InChIKey of [4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is XWUQNEUUGQHMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-21-12-11-20(23-24-21)25-13-15-26(16-14-25)22(27)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12H,13-16H2,1H3.
What are the key properties of [4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 374.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 16883350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).