[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone

C22H23N5O3 — CID 42110700

IUPAC[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone
SMILESCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccccn4)CC3)nn2)cc1OC
InChIInChI=1S/C22H23N5O3/c1-29-19-8-6-16(15-20(19)30-2)17-7-9-21(25-24-17)26-11-13-27(14-12-26)22(28)18-5-3-4-10-23-18/h3-10,15H,11-14H2,1-2H3
InChIKeyBEKOTLYCXLBUQK-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.52
Rot. Bonds5

About [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone

[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 42110700) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID42110700
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone
SMILESCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccccn4)CC3)nn2)cc1OC
InChIInChI=1S/C22H23N5O3/c1-29-19-8-6-16(15-20(19)30-2)17-7-9-21(25-24-17)26-11-13-27(14-12-26)22(28)18-5-3-4-10-23-18/h3-10,15H,11-14H2,1-2H3
InChIKeyBEKOTLYCXLBUQK-UHFFFAOYSA-N
XLogP2.52
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 42110699
[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone
CID 18444285
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 122335131
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 56764803
1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42110691
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9021288
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)acetamide
CID 46000643
(3,4-dimethoxyphenyl)-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 18569372
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylacetamide
CID 46000671
[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 18444282
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 46000662
N-cyclopropyl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 46000776

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone (CID 42110700) is [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone is COc1ccc(-c2ccc(N3CCN(C(=O)c4ccccn4)CC3)nn2)cc1OC.
What is the InChIKey of [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is BEKOTLYCXLBUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-29-19-8-6-16(15-20(19)30-2)17-7-9-21(25-24-17)26-11-13-27(14-12-26)22(28)18-5-3-4-10-23-18/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone?
[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 405.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 42110700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).