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

C32H37N7O — CID 165014367

About 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

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 165014367) has the molecular formula C32H37N7O and a molecular weight of 535.70 g/mol. Its IUPAC name is 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: 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: 165014367
• Molecular Formula: C32H37N7O
• Molecular Weight: 535.70 g/mol
• Exact Mass: 535.31
• IUPAC Name: 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
• InChI: InChI=1S/C32H37N7O/c1-22(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/h6,8-9,11,17-20,22H,12-16,21H2,1-5H3,(H,35,40)
• InChIKey: CZKCLPMPVCJRHD-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 78.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.70
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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 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 165014367) is 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 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 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.

What is the InChIKey of 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 CZKCLPMPVCJRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O/c1-22(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/h6,8-9,11,17-20,22H,12-16,21H2,1-5H3,(H,35,40).

What are the key properties of 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?

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 535.70 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 165014367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).