2-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;4-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;5-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole

C63H66Cl3N21S3 — CID 158625837

About 2-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;4-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;5-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole

2-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;4-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;5-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole (PubChem CID 158625837) has the molecular formula C63H66Cl3N21S3 and a molecular weight of 1319.93 g/mol. Its IUPAC name is 2-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;4-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;5-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;4-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;5-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole
• PubChem CID: 158625837
• Molecular Formula: C63H66Cl3N21S3
• Molecular Weight: 1319.93 g/mol
• Exact Mass: 1317.40
• IUPAC Name: 2-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;4-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;5-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole
• SMILES: CN1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4cncs4)nnc32)CC1.CN1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4cscn4)nnc32)CC1.CN1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4nccs4)nnc32)CC1
• InChI: InChI=1S/3C21H22ClN7S/c1-27-8-10-28(11-9-27)12-13-29-20-16(18(26-29)15-5-3-2-4-6-15)17(22)19(24-25-20)21-23-7-14-30-21;1-27-7-9-28(10-8-27)11-12-29-21-17(19(26-29)15-5-3-2-4-6-15)18(22)20(24-25-21)16-13-30-14-23-16;1-27-7-9-28(10-8-27)11-12-29-21-17(19(26-29)15-5-3-2-4-6-15)18(22)20(24-25-21)16-13-23-14-30-16/h2-7,14H,8-13H2,1H3;2*2-6,13-14H,7-12H2,1H3
• InChIKey: HYOUKCTVBNVODY-UHFFFAOYSA-N
• XLogP: 10.55
• TPSA: 188.91 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1319.93
LogP ≤ 5	10.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;4-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;5-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole?

The IUPAC name of 2-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;4-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;5-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole (CID 158625837) is 2-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;4-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;5-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole.

What is the SMILES notation for 2-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;4-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;5-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole?

The canonical SMILES for 2-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;4-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;5-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole is CN1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4cncs4)nnc32)CC1.CN1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4cscn4)nnc32)CC1.CN1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4nccs4)nnc32)CC1.

What is the InChIKey of 2-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;4-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;5-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole?

The InChIKey is HYOUKCTVBNVODY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H22ClN7S/c1-27-8-10-28(11-9-27)12-13-29-20-16(18(26-29)15-5-3-2-4-6-15)17(22)19(24-25-20)21-23-7-14-30-21;1-27-7-9-28(10-8-27)11-12-29-21-17(19(26-29)15-5-3-2-4-6-15)18(22)20(24-25-21)16-13-30-14-23-16;1-27-7-9-28(10-8-27)11-12-29-21-17(19(26-29)15-5-3-2-4-6-15)18(22)20(24-25-21)16-13-23-14-30-16/h2-7,14H,8-13H2,1H3;2*2-6,13-14H,7-12H2,1H3.

What are the key properties of 2-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;4-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;5-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole?

2-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;4-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;5-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole has a molecular weight of 1319.93 g/mol, XLogP of 10.55, 15 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;4-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole;5-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-phenylpyrazolo[3,4-c]pyridazin-5-yl]-1,3-thiazole is sourced from PubChem (CID 158625837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).