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

C82H74F9N21O3 — CID 165056366

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

N-[4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-aminopiperidin-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-[[(3R)-3-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 165056366) has the molecular formula C82H74F9N21O3 and a molecular weight of 1572.62 g/mol. Its IUPAC name is N-[4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-aminopiperidin-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-[[(3R)-3-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-aminopiperidin-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-[[(3R)-3-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 165056366
• Molecular Formula: C82H74F9N21O3
• Molecular Weight: 1572.62 g/mol
• Exact Mass: 1571.61
• IUPAC Name: N-[4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-aminopiperidin-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-[[(3R)-3-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: CN[C@@H]1CCCN(Cc2ccc(NC(=O)c3cncc(C#Cc4cnc5cccnn45)c3)cc2C(F)(F)F)C1.N[C@@H]1CCCN(Cc2ccc(NC(=O)c3cncc(C#Cc4cnc5cccnn45)c3)cc2C(F)(F)F)C1.N[C@H]1CCCN(Cc2ccc(NC(=O)c3cncc(C#Cc4cnc5cccnn45)c3)cc2C(F)(F)F)C1
• InChI: InChI=1S/C28H26F3N7O.2C27H24F3N7O/c1-32-23-4-3-11-37(18-23)17-20-7-8-22(13-25(20)28(29,30)31)36-27(39)21-12-19(14-33-15-21)6-9-24-16-34-26-5-2-10-35-38(24)26;2*28-27(29,30)24-12-22(7-6-19(24)16-36-10-2-3-21(31)17-36)35-26(38)20-11-18(13-32-14-20)5-8-23-15-33-25-4-1-9-34-37(23)25/h2,5,7-8,10,12-16,23,32H,3-4,11,17-18H2,1H3,(H,36,39);2*1,4,6-7,9,11-15,21H,2-3,10,16-17,31H2,(H,35,38)/t23-;2*21-/m110/s1
• InChIKey: QMLNMQNSXOSFST-LKOBVGQZSA-N
• XLogP: 11.42
• TPSA: 290.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1572.62
LogP ≤ 5	11.42
H-Bond Donors ≤ 5	6
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-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-aminopiperidin-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-[[(3R)-3-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-aminopiperidin-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-[[(3R)-3-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 165056366) is N-[4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-aminopiperidin-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-[[(3R)-3-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

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

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

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

The InChIKey is QMLNMQNSXOSFST-LKOBVGQZSA-N. The full InChI is InChI=1S/C28H26F3N7O.2C27H24F3N7O/c1-32-23-4-3-11-37(18-23)17-20-7-8-22(13-25(20)28(29,30)31)36-27(39)21-12-19(14-33-15-21)6-9-24-16-34-26-5-2-10-35-38(24)26;2*28-27(29,30)24-12-22(7-6-19(24)16-36-10-2-3-21(31)17-36)35-26(38)20-11-18(13-32-14-20)5-8-23-15-33-25-4-1-9-34-37(23)25/h2,5,7-8,10,12-16,23,32H,3-4,11,17-18H2,1H3,(H,36,39);2*1,4,6-7,9,11-15,21H,2-3,10,16-17,31H2,(H,35,38)/t23-;2*21-/m110/s1.

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

N-[4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-aminopiperidin-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-[[(3R)-3-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 1572.62 g/mol, XLogP of 11.42, 13 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)pyridine-3-carboxamide;N-[4-[[(3S)-3-aminopiperidin-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-[[(3R)-3-(methylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 165056366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).