4-chloro-5-(2,5-dimethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrazol-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-5-(2-ethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-5-pyrrol-1-ylpyrazolo[3,4-c]pyridazine

C92H97Cl4N27 — CID 158408074

About 4-chloro-5-(2,5-dimethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrazol-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-5-(2-ethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-5-pyrrol-1-ylpyrazolo[3,4-c]pyridazine

4-chloro-5-(2,5-dimethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrazol-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-5-(2-ethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-5-pyrrol-1-ylpyrazolo[3,4-c]pyridazine (PubChem CID 158408074) has the molecular formula C92H97Cl4N27 and a molecular weight of 1722.79 g/mol. Its IUPAC name is 4-chloro-5-(2,5-dimethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrazol-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-5-(2-ethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-5-pyrrol-1-ylpyrazolo[3,4-c]pyridazine.

Molecular Properties

• Compound Name: 4-chloro-5-(2,5-dimethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrazol-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-5-(2-ethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-5-pyrrol-1-ylpyrazolo[3,4-c]pyridazine
• PubChem CID: 158408074
• Molecular Formula: C92H97Cl4N27
• Molecular Weight: 1722.79 g/mol
• Exact Mass: 1719.72
• IUPAC Name: 4-chloro-5-(2,5-dimethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrazol-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-5-(2-ethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-5-pyrrol-1-ylpyrazolo[3,4-c]pyridazine
• SMILES: CCc1cccn1-c1nnc2c(c(-c3ccccc3)nn2CCN2CCN(C)CC2)c1Cl.CN1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-n4cccc4)nnc32)CC1.Cc1ccc(C)n1-c1nnc2c(c(-c3ccccc3)nn2CCN2CCN(C)CC2)c1Cl.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2CCn1cccn1
• InChI: InChI=1S/2C24H28ClN7.C22H24ClN7.C22H17ClN6/c1-17-9-10-18(2)32(17)24-21(25)20-22(19-7-5-4-6-8-19)28-31(23(20)26-27-24)16-15-30-13-11-29(3)12-14-30;1-3-19-10-7-11-31(19)24-21(25)20-22(18-8-5-4-6-9-18)28-32(23(20)26-27-24)17-16-30-14-12-29(2)13-15-30;1-27-11-13-28(14-12-27)15-16-30-21-18(20(26-30)17-7-3-2-4-8-17)19(23)22(25-24-21)29-9-5-6-10-29;23-19-18-20(16-8-3-1-4-9-16)27-29(15-14-28-13-7-12-24-28)22(18)26-25-21(19)17-10-5-2-6-11-17/h4-10H,11-16H2,1-3H3;4-11H,3,12-17H2,1-2H3;2-10H,11-16H2,1H3;1-13H,14-15H2
• InChIKey: GYYHEHLAFRUAJO-UHFFFAOYSA-N
• XLogP: 15.44
• TPSA: 226.45 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1722.79
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,5-dimethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrazol-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-5-(2-ethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-5-pyrrol-1-ylpyrazolo[3,4-c]pyridazine?

The IUPAC name of 4-chloro-5-(2,5-dimethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrazol-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-5-(2-ethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-5-pyrrol-1-ylpyrazolo[3,4-c]pyridazine (CID 158408074) is 4-chloro-5-(2,5-dimethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrazol-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-5-(2-ethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-5-pyrrol-1-ylpyrazolo[3,4-c]pyridazine.

What is the SMILES notation for 4-chloro-5-(2,5-dimethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrazol-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-5-(2-ethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-5-pyrrol-1-ylpyrazolo[3,4-c]pyridazine?

The canonical SMILES for 4-chloro-5-(2,5-dimethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrazol-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-5-(2-ethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-5-pyrrol-1-ylpyrazolo[3,4-c]pyridazine is CCc1cccn1-c1nnc2c(c(-c3ccccc3)nn2CCN2CCN(C)CC2)c1Cl.CN1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-n4cccc4)nnc32)CC1.Cc1ccc(C)n1-c1nnc2c(c(-c3ccccc3)nn2CCN2CCN(C)CC2)c1Cl.Clc1c(-c2ccccc2)nnc2c1c(-c1ccccc1)nn2CCn1cccn1.

What is the InChIKey of 4-chloro-5-(2,5-dimethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrazol-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-5-(2-ethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-5-pyrrol-1-ylpyrazolo[3,4-c]pyridazine?

The InChIKey is GYYHEHLAFRUAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H28ClN7.C22H24ClN7.C22H17ClN6/c1-17-9-10-18(2)32(17)24-21(25)20-22(19-7-5-4-6-8-19)28-31(23(20)26-27-24)16-15-30-13-11-29(3)12-14-30;1-3-19-10-7-11-31(19)24-21(25)20-22(18-8-5-4-6-9-18)28-32(23(20)26-27-24)17-16-30-14-12-29(2)13-15-30;1-27-11-13-28(14-12-27)15-16-30-21-18(20(26-30)17-7-3-2-4-8-17)19(23)22(25-24-21)29-9-5-6-10-29;23-19-18-20(16-8-3-1-4-9-16)27-29(15-14-28-13-7-12-24-28)22(18)26-25-21(19)17-10-5-2-6-11-17/h4-10H,11-16H2,1-3H3;4-11H,3,12-17H2,1-2H3;2-10H,11-16H2,1H3;1-13H,14-15H2.

What are the key properties of 4-chloro-5-(2,5-dimethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrazol-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-5-(2-ethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-5-pyrrol-1-ylpyrazolo[3,4-c]pyridazine?

4-chloro-5-(2,5-dimethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrazol-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-5-(2-ethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-5-pyrrol-1-ylpyrazolo[3,4-c]pyridazine has a molecular weight of 1722.79 g/mol, XLogP of 15.44, 21 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-(2,5-dimethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(2-pyrazol-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-5-(2-ethylpyrrol-1-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenyl-5-pyrrol-1-ylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 158408074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).