N-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C84H78F9N21O3 — CID 165066973

About N-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 165066973) has the molecular formula C84H78F9N21O3 and a molecular weight of 1600.67 g/mol. Its IUPAC name is N-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 165066973
• Molecular Formula: C84H78F9N21O3
• Molecular Weight: 1600.67 g/mol
• Exact Mass: 1599.65
• IUPAC Name: N-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: CN(C)[C@H]1CCCN(Cc2ccc(NC(=O)c3cncc(C#Cc4cnc5cccnn45)c3)cc2C(F)(F)F)C1.CNC1CCN(Cc2ccc(NC(=O)c3cncc(C#Cc4cnc5cccnn45)c3)cc2C(F)(F)F)CC1.NC1CCN(Cc2ccc(NC(=O)c3cncc(C#Cc4cnc5cccnn45)c3)cc2C(F)(F)F)CC1
• InChI: InChI=1S/C29H28F3N7O.C28H26F3N7O.C27H24F3N7O/c1-37(2)25-5-4-12-38(19-25)18-21-8-9-23(14-26(21)29(30,31)32)36-28(40)22-13-20(15-33-16-22)7-10-24-17-34-27-6-3-11-35-39(24)27;1-32-22-8-11-37(12-9-22)18-20-5-6-23(14-25(20)28(29,30)31)36-27(39)21-13-19(15-33-16-21)4-7-24-17-34-26-3-2-10-35-38(24)26;28-27(29,30)24-13-22(5-4-19(24)17-36-10-7-21(31)8-11-36)35-26(38)20-12-18(14-32-15-20)3-6-23-16-33-25-2-1-9-34-37(23)25/h3,6,8-9,11,13-17,25H,4-5,12,18-19H2,1-2H3,(H,36,40);2-3,5-6,10,13-17,22,32H,8-9,11-12,18H2,1H3,(H,36,39);1-2,4-5,9,12-16,21H,7-8,10-11,17,31H2,(H,35,38)/t25-;;/m0../s1
• InChIKey: SCYSNMWPBSUUDM-WLOLSGMKSA-N
• XLogP: 12.02
• TPSA: 267.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1600.67
LogP ≤ 5	12.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 165066973) is N-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CN(C)[C@H]1CCCN(Cc2ccc(NC(=O)c3cncc(C#Cc4cnc5cccnn45)c3)cc2C(F)(F)F)C1.CNC1CCN(Cc2ccc(NC(=O)c3cncc(C#Cc4cnc5cccnn45)c3)cc2C(F)(F)F)CC1.NC1CCN(Cc2ccc(NC(=O)c3cncc(C#Cc4cnc5cccnn45)c3)cc2C(F)(F)F)CC1.

What is the InChIKey of N-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The InChIKey is SCYSNMWPBSUUDM-WLOLSGMKSA-N. The full InChI is InChI=1S/C29H28F3N7O.C28H26F3N7O.C27H24F3N7O/c1-37(2)25-5-4-12-38(19-25)18-21-8-9-23(14-26(21)29(30,31)32)36-28(40)22-13-20(15-33-16-22)7-10-24-17-34-27-6-3-11-35-39(24)27;1-32-22-8-11-37(12-9-22)18-20-5-6-23(14-25(20)28(29,30)31)36-27(39)21-13-19(15-33-16-21)4-7-24-17-34-26-3-2-10-35-38(24)26;28-27(29,30)24-13-22(5-4-19(24)17-36-10-7-21(31)8-11-36)35-26(38)20-12-18(14-32-15-20)3-6-23-16-33-25-2-1-9-34-37(23)25/h3,6,8-9,11,13-17,25H,4-5,12,18-19H2,1-2H3,(H,36,40);2-3,5-6,10,13-17,22,32H,8-9,11-12,18H2,1H3,(H,36,39);1-2,4-5,9,12-16,21H,7-8,10-11,17,31H2,(H,35,38)/t25-;;/m0../s1.

What are the key properties of N-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

N-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 1600.67 g/mol, XLogP of 12.02, 14 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4-aminopiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 165066973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).