[4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone

C22H24N6O — CID 121058362

IUPAC[4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(c3ccc(-c4cccnc4)nn3)CC2)cc1
InChIInChI=1S/C22H24N6O/c1-26(2)19-7-5-17(6-8-19)22(29)28-14-12-27(13-15-28)21-10-9-20(24-25-21)18-4-3-11-23-16-18/h3-11,16H,12-15H2,1-2H3
InChIKeyJFTDEHOKLXAERN-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.57
Rot. Bonds4

About [4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone

[4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 121058362) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID121058362
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name[4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(c3ccc(-c4cccnc4)nn3)CC2)cc1
InChIInChI=1S/C22H24N6O/c1-26(2)19-7-5-17(6-8-19)22(29)28-14-12-27(13-15-28)21-10-9-20(24-25-21)18-4-3-11-23-16-18/h3-11,16H,12-15H2,1-2H3
InChIKeyJFTDEHOKLXAERN-UHFFFAOYSA-N
XLogP2.57
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110744372
[4-(dimethylamino)phenyl]-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087831
N-[4-(dimethylamino)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365512
[4-(dimethylamino)phenyl]-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336109
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058422
2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 52992436
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 122334551
[4-(dimethylamino)phenyl]-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335819
3-(4-fluorophenyl)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
CID 71961516
[4-(dimethylamino)phenyl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347137
[4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 119066291
pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058477

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 121058362) is [4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CCN(c3ccc(-c4cccnc4)nn3)CC2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is JFTDEHOKLXAERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-26(2)19-7-5-17(6-8-19)22(29)28-14-12-27(13-15-28)21-10-9-20(24-25-21)18-4-3-11-23-16-18/h3-11,16H,12-15H2,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone?
[4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 388.48 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 121058362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).