2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone

C20H23N7O2 — CID 122347919

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1
InChIInChI=1S/C20H23N7O2/c1-14-17(15(2)29-25-14)13-20(28)27-11-9-26(10-12-27)19-4-3-18(23-24-19)22-16-5-7-21-8-6-16/h3-8H,9-13H2,1-2H3,(H,21,22,23)
InChIKeyCEHDWVJWIDTVND-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.11
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 122347919) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID122347919
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1
InChIInChI=1S/C20H23N7O2/c1-14-17(15(2)29-25-14)13-20(28)27-11-9-26(10-12-27)19-4-3-18(23-24-19)22-16-5-7-21-8-6-16/h3-8H,9-13H2,1-2H3,(H,21,22,23)
InChIKeyCEHDWVJWIDTVND-UHFFFAOYSA-N
XLogP2.11
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 42112005
pyridin-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347828
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone
CID 56778583
2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 7178188
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 122281312
oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347928
N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122347837
1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 7178098
1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877503
(5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347915
(E)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 122347866
(3,4-dimethoxyphenyl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 56699559

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 122347919) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is CEHDWVJWIDTVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-14-17(15(2)29-25-14)13-20(28)27-11-9-26(10-12-27)19-4-3-18(23-24-19)22-16-5-7-21-8-6-16/h3-8H,9-13H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 393.45 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 122347919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).