[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone

C23H25N5O2 — CID 122334080

IUPAC[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)nn1
InChIInChI=1S/C23H25N5O2/c1-26(2)21-12-13-22(25-24-21)27-14-16-28(17-15-27)23(29)18-8-10-20(11-9-18)30-19-6-4-3-5-7-19/h3-13H,14-17H2,1-2H3
InChIKeyVHLOAAKUJIUMBN-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.30
Rot. Bonds5

About [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone

[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone (PubChem CID 122334080) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone
PubChem CID122334080
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)nn1
InChIInChI=1S/C23H25N5O2/c1-26(2)21-12-13-22(25-24-21)27-14-16-28(17-15-27)23(29)18-8-10-20(11-9-18)30-19-6-4-3-5-7-19/h3-13H,14-17H2,1-2H3
InChIKeyVHLOAAKUJIUMBN-UHFFFAOYSA-N
XLogP3.30
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(4-fluorophenoxy)phenyl]methanone
CID 122334178
1-[4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122334176
4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 122334084
(4-phenoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146052
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 121053720
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121053718
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122334029
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121053728
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121053737
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 122334078

Frequently Asked Questions

What is the IUPAC name of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone (CID 122334080) is [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone is CN(C)c1ccc(N2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)nn1.
What is the InChIKey of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is VHLOAAKUJIUMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-26(2)21-12-13-22(25-24-21)27-14-16-28(17-15-27)23(29)18-8-10-20(11-9-18)30-19-6-4-3-5-7-19/h3-13H,14-17H2,1-2H3.
What are the key properties of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone?
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 403.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 122334080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).