[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C20H26N4O5 — CID 16883464

IUPAC[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCOc1ccc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)nn1
InChIInChI=1S/C20H26N4O5/c1-5-29-18-7-6-17(21-22-18)23-8-10-24(11-9-23)20(25)14-12-15(26-2)19(28-4)16(13-14)27-3/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyRXZLJVUOFVHIAA-UHFFFAOYSA-N
MW402.45 g/mol
LogP1.86
Rot. Bonds7

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

[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 16883464) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID16883464
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCOc1ccc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)nn1
InChIInChI=1S/C20H26N4O5/c1-5-29-18-7-6-17(21-22-18)23-8-10-24(11-9-23)20(25)14-12-15(26-2)19(28-4)16(13-14)27-3/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyRXZLJVUOFVHIAA-UHFFFAOYSA-N
XLogP1.86
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121053718
[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121053512
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121113744
(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883306
(2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883472
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 108753628
(3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone
CID 30773889
(3-bromo-4-ethoxy-5-methoxyphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42022240
[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 121058331
[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 16883540
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 16883280

Frequently Asked Questions

What is the IUPAC name of [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 16883464) is [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is CCOc1ccc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)nn1.
What is the InChIKey of [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is RXZLJVUOFVHIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-5-29-18-7-6-17(21-22-18)23-8-10-24(11-9-23)20(25)14-12-15(26-2)19(28-4)16(13-14)27-3/h6-7,12-13H,5,8-11H2,1-4H3.
What are the key properties of [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 402.45 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 16883464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).