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

C23H23BrClN7 — CID 54759860

IUPAC6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;hydrobromide;hydrochloride
SMILESBr.Cl.c1ccc(-c2cc(-c3ccncc3)c(N3CCN(c4ncccn4)CC3)nn2)cc1
InChIInChI=1S/C23H21N7.BrH.ClH/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;2*1H
InChIKeyFUHNOLZLDWPBKI-UHFFFAOYSA-N
MW512.84 g/mol
LogP4.32
Rot. Bonds4

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

6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;hydrobromide;hydrochloride (PubChem CID 54759860) has the molecular formula C23H23BrClN7 and a molecular weight of 512.84 g/mol. Its IUPAC name is 6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;hydrobromide;hydrochloride.

Molecular Properties

Compound Name6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;hydrobromide;hydrochloride
PubChem CID54759860
Molecular FormulaC23H23BrClN7
Molecular Weight512.84 g/mol
Exact Mass511.09
IUPAC Name6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;hydrobromide;hydrochloride
SMILESBr.Cl.c1ccc(-c2cc(-c3ccncc3)c(N3CCN(c4ncccn4)CC3)nn2)cc1
InChIInChI=1S/C23H21N7.BrH.ClH/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;2*1H
InChIKeyFUHNOLZLDWPBKI-UHFFFAOYSA-N
XLogP4.32
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.84
LogP ≤ 54.32
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;hydrobromide;hydrochloride?
The IUPAC name of 6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;hydrobromide;hydrochloride (CID 54759860) is 6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;hydrobromide;hydrochloride.
What is the SMILES notation for 6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;hydrobromide;hydrochloride?
The canonical SMILES for 6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;hydrobromide;hydrochloride is Br.Cl.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;hydrobromide;hydrochloride?
The InChIKey is FUHNOLZLDWPBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7.BrH.ClH/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;2*1H.
What are the key properties of 6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;hydrobromide;hydrochloride?
6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;hydrobromide;hydrochloride has a molecular weight of 512.84 g/mol, XLogP of 4.32, 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;hydrobromide;hydrochloride is sourced from PubChem (CID 54759860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).