1-[4-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]piperazin-1-yl]ethanone

C22H27N5O3 — CID 135217156

IUPAC1-[4-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]piperazin-1-yl]ethanone
SMILESCOc1ccc(-c2c(C)nc3c(N4CCN(C(C)=O)CC4)cc(C)nn23)cc1OC
InChIInChI=1S/C22H27N5O3/c1-14-12-18(26-10-8-25(9-11-26)16(3)28)22-23-15(2)21(27(22)24-14)17-6-7-19(29-4)20(13-17)30-5/h6-7,12-13H,8-11H2,1-5H3
InChIKeyKJRSWBZCBZFLMV-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.70
Rot. Bonds4

About 1-[4-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]piperazin-1-yl]ethanone

1-[4-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]piperazin-1-yl]ethanone (PubChem CID 135217156) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-[4-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]piperazin-1-yl]ethanone
PubChem CID135217156
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name1-[4-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]piperazin-1-yl]ethanone
SMILESCOc1ccc(-c2c(C)nc3c(N4CCN(C(C)=O)CC4)cc(C)nn23)cc1OC
InChIInChI=1S/C22H27N5O3/c1-14-12-18(26-10-8-25(9-11-26)16(3)28)22-23-15(2)21(27(22)24-14)17-6-7-19(29-4)20(13-17)30-5/h6-7,12-13H,8-11H2,1-5H3
InChIKeyKJRSWBZCBZFLMV-UHFFFAOYSA-N
XLogP2.70
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]piperazin-1-yl]ethanone (CID 135217156) is 1-[4-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]piperazin-1-yl]ethanone is COc1ccc(-c2c(C)nc3c(N4CCN(C(C)=O)CC4)cc(C)nn23)cc1OC.
What is the InChIKey of 1-[4-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]piperazin-1-yl]ethanone?
The InChIKey is KJRSWBZCBZFLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-14-12-18(26-10-8-25(9-11-26)16(3)28)22-23-15(2)21(27(22)24-14)17-6-7-19(29-4)20(13-17)30-5/h6-7,12-13H,8-11H2,1-5H3.
What are the key properties of 1-[4-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]piperazin-1-yl]ethanone?
1-[4-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]piperazin-1-yl]ethanone has a molecular weight of 409.49 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 135217156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).