3-chloro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;3-fluoro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C105H100ClFN28O4 — CID 165044142

About 3-chloro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;3-fluoro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

3-chloro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;3-fluoro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 165044142) has the molecular formula C105H100ClFN28O4 and a molecular weight of 1872.60 g/mol. Its IUPAC name is 3-chloro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;3-fluoro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;3-fluoro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
• PubChem CID: 165044142
• Molecular Formula: C105H100ClFN28O4
• Molecular Weight: 1872.60 g/mol
• Exact Mass: 1870.82
• IUPAC Name: 3-chloro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;3-fluoro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
• SMILES: CN1CCN(Cc2ccc(C(=O)Nc3cncc(C#Cc4cnc5cccnn45)c3)cc2)CC1.CN1CCN(Cc2ccc(C(=O)Nc3cncc(C#Cc4cnc5cccnn45)c3)cc2Cl)CC1.CN1CCN(Cc2ccc(C(=O)Nc3cncc(C#Cc4cnc5cccnn45)c3)cc2F)CC1.Cc1cc(C(=O)Nc2cncc(C#Cc3cnc4cccnn34)c2)ccc1CN1CCN(C)CC1
• InChI: InChI=1S/C27H27N7O.C26H24ClN7O.C26H24FN7O.C26H25N7O/c1-20-14-22(6-7-23(20)19-33-12-10-32(2)11-13-33)27(35)31-24-15-21(16-28-17-24)5-8-25-18-29-26-4-3-9-30-34(25)26;2*1-32-9-11-33(12-10-32)18-21-6-5-20(14-24(21)27)26(35)31-22-13-19(15-28-16-22)4-7-23-17-29-25-3-2-8-30-34(23)25;1-31-11-13-32(14-12-31)19-20-4-7-22(8-5-20)26(34)30-23-15-21(16-27-17-23)6-9-24-18-28-25-3-2-10-29-33(24)25/h3-4,6-7,9,14-18H,10-13,19H2,1-2H3,(H,31,35);2*2-3,5-6,8,13-17H,9-12,18H2,1H3,(H,31,35);2-5,7-8,10,15-18H,11-14,19H2,1H3,(H,30,34)
• InChIKey: OPQRPXREGIBDMY-UHFFFAOYSA-N
• XLogP: 11.20
• TPSA: 314.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1872.60
LogP ≤ 5	11.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;3-fluoro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

The IUPAC name of 3-chloro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;3-fluoro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 165044142) is 3-chloro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;3-fluoro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

What is the SMILES notation for 3-chloro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;3-fluoro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

The canonical SMILES for 3-chloro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;3-fluoro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is CN1CCN(Cc2ccc(C(=O)Nc3cncc(C#Cc4cnc5cccnn45)c3)cc2)CC1.CN1CCN(Cc2ccc(C(=O)Nc3cncc(C#Cc4cnc5cccnn45)c3)cc2Cl)CC1.CN1CCN(Cc2ccc(C(=O)Nc3cncc(C#Cc4cnc5cccnn45)c3)cc2F)CC1.Cc1cc(C(=O)Nc2cncc(C#Cc3cnc4cccnn34)c2)ccc1CN1CCN(C)CC1.

What is the InChIKey of 3-chloro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;3-fluoro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

The InChIKey is OPQRPXREGIBDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O.C26H24ClN7O.C26H24FN7O.C26H25N7O/c1-20-14-22(6-7-23(20)19-33-12-10-32(2)11-13-33)27(35)31-24-15-21(16-28-17-24)5-8-25-18-29-26-4-3-9-30-34(25)26;2*1-32-9-11-33(12-10-32)18-21-6-5-20(14-24(21)27)26(35)31-22-13-19(15-28-16-22)4-7-23-17-29-25-3-2-8-30-34(23)25;1-31-11-13-32(14-12-31)19-20-4-7-22(8-5-20)26(34)30-23-15-21(16-27-17-23)6-9-24-18-28-25-3-2-10-29-33(24)25/h3-4,6-7,9,14-18H,10-13,19H2,1-2H3,(H,31,35);2*2-3,5-6,8,13-17H,9-12,18H2,1H3,(H,31,35);2-5,7-8,10,15-18H,11-14,19H2,1H3,(H,30,34).

What are the key properties of 3-chloro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;3-fluoro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

3-chloro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;3-fluoro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 1872.60 g/mol, XLogP of 11.20, 16 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;3-fluoro-N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 165044142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).