[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C22H26N6O4 — CID 121113744

IUPAC[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H26N6O4/c1-15-23-7-8-28(15)20-6-5-19(24-25-20)26-9-11-27(12-10-26)22(29)16-13-17(30-2)21(32-4)18(14-16)31-3/h5-8,13-14H,9-12H2,1-4H3
InChIKeyCFNHGKQWHBGXEN-UHFFFAOYSA-N
MW438.49 g/mol
LogP1.96
Rot. Bonds6

About [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 121113744) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID121113744
Molecular FormulaC22H26N6O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC Name[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H26N6O4/c1-15-23-7-8-28(15)20-6-5-19(24-25-20)26-9-11-27(12-10-26)22(29)16-13-17(30-2)21(32-4)18(14-16)31-3/h5-8,13-14H,9-12H2,1-4H3
InChIKeyCFNHGKQWHBGXEN-UHFFFAOYSA-N
XLogP1.96
TPSA94.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(3,4-dimethylphenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113754
(3,5-dichlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113880
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121053718
[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 16883464
[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121053512
(E)-3-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 121113797
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121113768
(3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70702483
(2-chlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 71791222
3H-benzimidazol-5-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113874
(2,5-dimethylfuran-3-yl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113824
3-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121113756

Frequently Asked Questions

What is the IUPAC name of [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 121113744) is [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)cc(OC)c1OC.
What is the InChIKey of [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is CFNHGKQWHBGXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-15-23-7-8-28(15)20-6-5-19(24-25-20)26-9-11-27(12-10-26)22(29)16-13-17(30-2)21(32-4)18(14-16)31-3/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 438.49 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 121113744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).