3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine

C25H24N6 — CID 108775200

IUPAC3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine
SMILESCc1ccc(-c2ccc(N3CCN(c4cc(-c5ccccc5)ncn4)CC3)nn2)cc1
InChIInChI=1S/C25H24N6/c1-19-7-9-21(10-8-19)22-11-12-24(29-28-22)30-13-15-31(16-14-30)25-17-23(26-18-27-25)20-5-3-2-4-6-20/h2-12,17-18H,13-16H2,1H3
InChIKeyYQGWEEAQLGEKNW-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.24
Rot. Bonds4

About 3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine

3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine (PubChem CID 108775200) has the molecular formula C25H24N6 and a molecular weight of 408.51 g/mol. Its IUPAC name is 3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine
PubChem CID108775200
Molecular FormulaC25H24N6
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC Name3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine
SMILESCc1ccc(-c2ccc(N3CCN(c4cc(-c5ccccc5)ncn4)CC3)nn2)cc1
InChIInChI=1S/C25H24N6/c1-19-7-9-21(10-8-19)22-11-12-24(29-28-22)30-13-15-31(16-14-30)25-17-23(26-18-27-25)20-5-3-2-4-6-20/h2-12,17-18H,13-16H2,1H3
InChIKeyYQGWEEAQLGEKNW-UHFFFAOYSA-N
XLogP4.24
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 108773558
4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline
CID 108777282
N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 122281848
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine
CID 35271779
4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline
CID 108777250
2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 82166143
2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole
CID 108772733
2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 108775197
2-(2-methoxy-4-methylphenoxy)-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 90516685
3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine
CID 82166145
3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 139029459

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine (CID 108775200) is 3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine is Cc1ccc(-c2ccc(N3CCN(c4cc(-c5ccccc5)ncn4)CC3)nn2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
The InChIKey is YQGWEEAQLGEKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6/c1-19-7-9-21(10-8-19)22-11-12-24(29-28-22)30-13-15-31(16-14-30)25-17-23(26-18-27-25)20-5-3-2-4-6-20/h2-12,17-18H,13-16H2,1H3.
What are the key properties of 3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine has a molecular weight of 408.51 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 108775200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).