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

C23H21N7 — CID 54576073

IUPAC6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESc1ccc(-c2cc(-c3ccncc3)c(N3CCN(c4ncccn4)CC3)nn2)cc1
InChIInChI=1S/C23H21N7/c1-2-5-19(6-3-1)21-17-20(18-7-11-24-12-8-18)22(28-27-21)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2
InChIKeyZPJGUEPHFXPAQF-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.32
Rot. Bonds4

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

6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (PubChem CID 54576073) has the molecular formula C23H21N7 and a molecular weight of 395.47 g/mol. Its IUPAC name is 6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
PubChem CID54576073
Molecular FormulaC23H21N7
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESc1ccc(-c2cc(-c3ccncc3)c(N3CCN(c4ncccn4)CC3)nn2)cc1
InChIInChI=1S/C23H21N7/c1-2-5-19(6-3-1)21-17-20(18-7-11-24-12-8-18)22(28-27-21)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2
InChIKeyZPJGUEPHFXPAQF-UHFFFAOYSA-N
XLogP3.32
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (CID 54576073) is 6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is c1ccc(-c2cc(-c3ccncc3)c(N3CCN(c4ncccn4)CC3)nn2)cc1.
What is the InChIKey of 6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The InChIKey is ZPJGUEPHFXPAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7/c1-2-5-19(6-3-1)21-17-20(18-7-11-24-12-8-18)22(28-27-21)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2.
What are the key properties of 6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine has a molecular weight of 395.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 54576073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).