4-methyl-6-pyridin-3-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

C18H19N7 — CID 71449666

IUPAC4-methyl-6-pyridin-3-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESCc1cc(-c2cccnc2)nnc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H19N7/c1-14-12-16(15-4-2-5-19-13-15)22-23-17(14)24-8-10-25(11-9-24)18-20-6-3-7-21-18/h2-7,12-13H,8-11H2,1H3
InChIKeyBPXZQANIDXPSAR-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.96
Rot. Bonds3

About 4-methyl-6-pyridin-3-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

4-methyl-6-pyridin-3-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (PubChem CID 71449666) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-methyl-6-pyridin-3-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name4-methyl-6-pyridin-3-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
PubChem CID71449666
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name4-methyl-6-pyridin-3-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESCc1cc(-c2cccnc2)nnc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H19N7/c1-14-12-16(15-4-2-5-19-13-15)22-23-17(14)24-8-10-25(11-9-24)18-20-6-3-7-21-18/h2-7,12-13H,8-11H2,1H3
InChIKeyBPXZQANIDXPSAR-UHFFFAOYSA-N
XLogP1.96
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-6-phenyl-3-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine
CID 150540546
4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine
CID 13218685
4,6-diphenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 23628246
6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 59867376
2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine
CID 44613762
6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;hydrobromide;hydrochloride
CID 54759860
2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine
CID 71460489
2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
CID 163351985
2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine
CID 139029254
1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one
CID 116976534
7-methyl-6-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]purine
CID 163352347
2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
CID 74231908

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-pyridin-3-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 4-methyl-6-pyridin-3-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (CID 71449666) is 4-methyl-6-pyridin-3-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 4-methyl-6-pyridin-3-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 4-methyl-6-pyridin-3-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is Cc1cc(-c2cccnc2)nnc1N1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-methyl-6-pyridin-3-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The InChIKey is BPXZQANIDXPSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-14-12-16(15-4-2-5-19-13-15)22-23-17(14)24-8-10-25(11-9-24)18-20-6-3-7-21-18/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 4-methyl-6-pyridin-3-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
4-methyl-6-pyridin-3-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine has a molecular weight of 333.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-pyridin-3-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 71449666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).