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

C64H72N14O2 — CID 165014365

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

5-[2-[6-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-[6-(2-methylpropyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]pyridine-3-carboxamide (PubChem CID 165014365) has the molecular formula C64H72N14O2 and a molecular weight of 1069.38 g/mol. Its IUPAC name is 5-[2-[6-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-[6-(2-methylpropyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[6-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-[6-(2-methylpropyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]pyridine-3-carboxamide
• PubChem CID: 165014365
• Molecular Formula: C64H72N14O2
• Molecular Weight: 1069.38 g/mol
• Exact Mass: 1068.60
• IUPAC Name: 5-[2-[6-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-[6-(2-methylpropyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]pyridine-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2cnc(C)c(C#Cc3cnc4ccc(CC(C)C)nn34)c2)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cnc(C)c(C#Cc3cnc4ccc(CC5CC5)nn34)c2)ccc1CN1CCN(C)CC1
• InChI: InChI=1S/C32H35N7O.C32H37N7O/c1-22-16-28(8-6-26(22)21-38-14-12-37(3)13-15-38)35-32(40)27-18-25(23(2)33-19-27)7-10-30-20-34-31-11-9-29(36-39(30)31)17-24-4-5-24;1-22(2)16-29-9-11-31-34-20-30(39(31)36-29)10-7-25-18-27(19-33-24(25)4)32(40)35-28-8-6-26(23(3)17-28)21-38-14-12-37(5)13-15-38/h6,8-9,11,16,18-20,24H,4-5,12-15,17,21H2,1-3H3,(H,35,40);6,8-9,11,17-20,22H,12-16,21H2,1-5H3,(H,35,40)
• InChIKey: KEOAYPBXJBFDPU-UHFFFAOYSA-N
• XLogP: 8.43
• TPSA: 157.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1069.38
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[2-[6-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-[6-(2-methylpropyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]pyridine-3-carboxamide (CID 165014365) is 5-[2-[6-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-[6-(2-methylpropyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]pyridine-3-carboxamide.

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

The canonical SMILES for 5-[2-[6-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-[6-(2-methylpropyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]pyridine-3-carboxamide is Cc1cc(NC(=O)c2cnc(C)c(C#Cc3cnc4ccc(CC(C)C)nn34)c2)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cnc(C)c(C#Cc3cnc4ccc(CC5CC5)nn34)c2)ccc1CN1CCN(C)CC1.

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

The InChIKey is KEOAYPBXJBFDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N7O.C32H37N7O/c1-22-16-28(8-6-26(22)21-38-14-12-37(3)13-15-38)35-32(40)27-18-25(23(2)33-19-27)7-10-30-20-34-31-11-9-29(36-39(30)31)17-24-4-5-24;1-22(2)16-29-9-11-31-34-20-30(39(31)36-29)10-7-25-18-27(19-33-24(25)4)32(40)35-28-8-6-26(23(3)17-28)21-38-14-12-37(5)13-15-38/h6,8-9,11,16,18-20,24H,4-5,12-15,17,21H2,1-3H3,(H,35,40);6,8-9,11,17-20,22H,12-16,21H2,1-5H3,(H,35,40).

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

5-[2-[6-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-[6-(2-methylpropyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]pyridine-3-carboxamide has a molecular weight of 1069.38 g/mol, XLogP of 8.43, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[6-(cyclopropylmethyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]-6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide;6-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[2-[6-(2-methylpropyl)imidazo[1,2-b]pyridazin-3-yl]ethynyl]pyridine-3-carboxamide is sourced from PubChem (CID 165014365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).