3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

C21H22N6O3 — CID 121060197

IUPAC3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCOc1ccc(-c2ccc(N3CCN(C(=O)Cn4cnccc4=O)CC3)nn2)cc1
InChIInChI=1S/C21H22N6O3/c1-30-17-4-2-16(3-5-17)18-6-7-19(24-23-18)25-10-12-26(13-11-25)21(29)14-27-15-22-9-8-20(27)28/h2-9,15H,10-14H2,1H3
InChIKeyNLWYIBXPNZRPDQ-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.06
Rot. Bonds5

About 3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 121060197) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is 3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
PubChem CID121060197
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCOc1ccc(-c2ccc(N3CCN(C(=O)Cn4cnccc4=O)CC3)nn2)cc1
InChIInChI=1S/C21H22N6O3/c1-30-17-4-2-16(3-5-17)18-6-7-19(24-23-18)25-10-12-26(13-11-25)21(29)14-27-15-22-9-8-20(27)28/h2-9,15H,10-14H2,1H3
InChIKeyNLWYIBXPNZRPDQ-UHFFFAOYSA-N
XLogP1.06
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121059791
3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-propan-2-ylpyrimidin-4-one
CID 121060198
3-[2-oxo-2-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one
CID 121058657
3-[2-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 90539579
1-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(2-methylbutylamino)ethanone
CID 42830298
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-4-ylpyridazin-3-one
CID 121052740
1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42110691
N-ethyl-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
CID 42833198
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801
2-methoxy-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-(2-methylpropyl)acetamide
CID 42832718
N-[(2S)-butan-2-yl]-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]acetamide
CID 93156617
2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334342

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (CID 121060197) is 3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is COc1ccc(-c2ccc(N3CCN(C(=O)Cn4cnccc4=O)CC3)nn2)cc1.
What is the InChIKey of 3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The InChIKey is NLWYIBXPNZRPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-30-17-4-2-16(3-5-17)18-6-7-19(24-23-18)25-10-12-26(13-11-25)21(29)14-27-15-22-9-8-20(27)28/h2-9,15H,10-14H2,1H3.
What are the key properties of 3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one has a molecular weight of 406.45 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 121060197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).