5-[2-[6-(difluoromethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-(6-pentylimidazo[1,2-b]pyridazin-3-yl)ethynyl]pyridine-3-carboxamide

C88H93F2N21O5 — CID 165067469

About 5-[2-[6-(difluoromethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-(6-pentylimidazo[1,2-b]pyridazin-3-yl)ethynyl]pyridine-3-carboxamide

5-[2-[6-(difluoromethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-(6-pentylimidazo[1,2-b]pyridazin-3-yl)ethynyl]pyridine-3-carboxamide (PubChem CID 165067469) has the molecular formula C88H93F2N21O5 and a molecular weight of 1562.85 g/mol. Its IUPAC name is 5-[2-[6-(difluoromethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-(6-pentylimidazo[1,2-b]pyridazin-3-yl)ethynyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[6-(difluoromethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-(6-pentylimidazo[1,2-b]pyridazin-3-yl)ethynyl]pyridine-3-carboxamide
• PubChem CID: 165067469
• Molecular Formula: C88H93F2N21O5
• Molecular Weight: 1562.85 g/mol
• Exact Mass: 1561.76
• IUPAC Name: 5-[2-[6-(difluoromethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-(6-pentylimidazo[1,2-b]pyridazin-3-yl)ethynyl]pyridine-3-carboxamide
• SMILES: CCCCCc1ccc2ncc(C#Cc3cncc(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C)c4)c3)n2n1.COc1ccc2ncc(C#Cc3cncc(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C)c4)c3)n2n1.Cc1cc(NC(=O)c2cncc(C#Cc3cnc4ccc(OC(F)F)nn34)c2)ccc1CN1CCN(C)CC1
• InChI: InChI=1S/C32H37N7O.C28H27F2N7O2.C28H29N7O2/c1-4-5-6-7-28-11-13-31-34-22-30(39(31)36-28)12-8-25-19-27(21-33-20-25)32(40)35-29-10-9-26(24(2)18-29)23-38-16-14-37(3)15-17-38;1-19-13-23(5-4-21(19)18-36-11-9-35(2)10-12-36)33-27(38)22-14-20(15-31-16-22)3-6-24-17-32-25-7-8-26(34-37(24)25)39-28(29)30;1-20-14-24(6-5-22(20)19-34-12-10-33(2)11-13-34)31-28(36)23-15-21(16-29-17-23)4-7-25-18-30-26-8-9-27(37-3)32-35(25)26/h9-11,13,18-22H,4-7,14-17,23H2,1-3H3,(H,35,40);4-5,7-8,13-17,28H,9-12,18H2,1-2H3,(H,33,38);5-6,8-9,14-18H,10-13,19H2,1-3H3,(H,31,36)
• InChIKey: SEWYPQSMPYGERP-UHFFFAOYSA-N
• XLogP: 10.84
• TPSA: 254.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1562.85
LogP ≤ 5	10.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-(difluoromethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-(6-pentylimidazo[1,2-b]pyridazin-3-yl)ethynyl]pyridine-3-carboxamide?

The IUPAC name of 5-[2-[6-(difluoromethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-(6-pentylimidazo[1,2-b]pyridazin-3-yl)ethynyl]pyridine-3-carboxamide (CID 165067469) is 5-[2-[6-(difluoromethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-(6-pentylimidazo[1,2-b]pyridazin-3-yl)ethynyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-[2-[6-(difluoromethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-(6-pentylimidazo[1,2-b]pyridazin-3-yl)ethynyl]pyridine-3-carboxamide?

The canonical SMILES for 5-[2-[6-(difluoromethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-(6-pentylimidazo[1,2-b]pyridazin-3-yl)ethynyl]pyridine-3-carboxamide is CCCCCc1ccc2ncc(C#Cc3cncc(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C)c4)c3)n2n1.COc1ccc2ncc(C#Cc3cncc(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C)c4)c3)n2n1.Cc1cc(NC(=O)c2cncc(C#Cc3cnc4ccc(OC(F)F)nn34)c2)ccc1CN1CCN(C)CC1.

What is the InChIKey of 5-[2-[6-(difluoromethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-(6-pentylimidazo[1,2-b]pyridazin-3-yl)ethynyl]pyridine-3-carboxamide?

The InChIKey is SEWYPQSMPYGERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O.C28H27F2N7O2.C28H29N7O2/c1-4-5-6-7-28-11-13-31-34-22-30(39(31)36-28)12-8-25-19-27(21-33-20-25)32(40)35-29-10-9-26(24(2)18-29)23-38-16-14-37(3)15-17-38;1-19-13-23(5-4-21(19)18-36-11-9-35(2)10-12-36)33-27(38)22-14-20(15-31-16-22)3-6-24-17-32-25-7-8-26(34-37(24)25)39-28(29)30;1-20-14-24(6-5-22(20)19-34-12-10-33(2)11-13-34)31-28(36)23-15-21(16-29-17-23)4-7-25-18-30-26-8-9-27(37-3)32-35(25)26/h9-11,13,18-22H,4-7,14-17,23H2,1-3H3,(H,35,40);4-5,7-8,13-17,28H,9-12,18H2,1-2H3,(H,33,38);5-6,8-9,14-18H,10-13,19H2,1-3H3,(H,31,36).

What are the key properties of 5-[2-[6-(difluoromethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-(6-pentylimidazo[1,2-b]pyridazin-3-yl)ethynyl]pyridine-3-carboxamide?

5-[2-[6-(difluoromethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-(6-pentylimidazo[1,2-b]pyridazin-3-yl)ethynyl]pyridine-3-carboxamide has a molecular weight of 1562.85 g/mol, XLogP of 10.84, 19 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[6-(difluoromethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;5-[2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)ethynyl]-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-(6-pentylimidazo[1,2-b]pyridazin-3-yl)ethynyl]pyridine-3-carboxamide is sourced from PubChem (CID 165067469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).