4-(aminomethyl)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-2-one;2-hydroxy-2-methyl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]propan-1-one;1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-2-one;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine

C124H131F18N31O13 — CID 161175734

About 4-(aminomethyl)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-2-one;2-hydroxy-2-methyl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]propan-1-one;1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-2-one;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine

4-(aminomethyl)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-2-one;2-hydroxy-2-methyl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]propan-1-one;1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-2-one;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine (PubChem CID 161175734) has the molecular formula C124H131F18N31O13 and a molecular weight of 2605.58 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-2-one;2-hydroxy-2-methyl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]propan-1-one;1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-2-one;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine.

Molecular Properties

• Compound Name: 4-(aminomethyl)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-2-one;2-hydroxy-2-methyl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]propan-1-one;1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-2-one;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine
• PubChem CID: 161175734
• Molecular Formula: C124H131F18N31O13
• Molecular Weight: 2605.58 g/mol
• Exact Mass: 2604.03
• IUPAC Name: 4-(aminomethyl)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-2-one;2-hydroxy-2-methyl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]propan-1-one;1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-2-one;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine
• SMILES: CC(C)(O)C(=O)N1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.CN1CCC(O)(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.NCC1CCN(c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)C(=O)C1.N[C@H]1CCCN(c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)C1.O=C(CN1CCOCC1)N1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.O=C1CC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CCN1
• InChI: InChI=1S/C25H29F3N6O3.C23H26F3N5O3.C20H22F3N5O2.2C19H18F3N5O2.C18H18F3N5O/c26-25(27,28)37-20-3-1-2-19(14-20)21-16-30-23-5-4-22(31-34(21)23)29-15-18-6-8-33(9-7-18)24(35)17-32-10-12-36-13-11-32;1-22(2,33)21(32)30-10-8-15(9-11-30)13-27-19-6-7-20-28-14-18(31(20)29-19)16-4-3-5-17(12-16)34-23(24,25)26;1-27-9-7-19(29,8-10-27)13-25-17-5-6-18-24-12-16(28(18)26-17)14-3-2-4-15(11-14)30-20(21,22)23;20-19(21,22)29-14-3-1-2-13(9-14)15-11-24-16-4-5-17(25-27(15)16)26-7-6-12(10-23)8-18(26)28;20-19(21,22)29-14-3-1-2-13(9-14)15-11-25-17-5-4-16(26-27(15)17)24-10-12-6-7-23-18(28)8-12;19-18(20,21)27-14-5-1-3-12(9-14)15-10-23-16-6-7-17(24-26(15)16)25-8-2-4-13(22)11-25/h1-5,14,16,18H,6-13,15,17H2,(H,29,31);3-7,12,14-15,33H,8-11,13H2,1-2H3,(H,27,29);2-6,11-12,29H,7-10,13H2,1H3,(H,25,26);1-5,9,11-12H,6-8,10,23H2;1-5,9,11-12H,6-8,10H2,(H,23,28)(H,24,26);1,3,5-7,9-10,13H,2,4,8,11,22H2/t;;;;;13-/m.....0/s1
• InChIKey: URTYAIZNLINBIL-PDFJQAGISA-N
• XLogP: 19.61
• TPSA: 486.12 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 30
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2605.58
LogP ≤ 5	19.61
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-2-one;2-hydroxy-2-methyl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]propan-1-one;1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-2-one;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine?

The IUPAC name of 4-(aminomethyl)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-2-one;2-hydroxy-2-methyl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]propan-1-one;1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-2-one;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine (CID 161175734) is 4-(aminomethyl)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-2-one;2-hydroxy-2-methyl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]propan-1-one;1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-2-one;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine.

What is the SMILES notation for 4-(aminomethyl)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-2-one;2-hydroxy-2-methyl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]propan-1-one;1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-2-one;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine?

The canonical SMILES for 4-(aminomethyl)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-2-one;2-hydroxy-2-methyl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]propan-1-one;1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-2-one;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine is CC(C)(O)C(=O)N1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.CN1CCC(O)(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.NCC1CCN(c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)C(=O)C1.N[C@H]1CCCN(c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)C1.O=C(CN1CCOCC1)N1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.O=C1CC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CCN1.

What is the InChIKey of 4-(aminomethyl)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-2-one;2-hydroxy-2-methyl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]propan-1-one;1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-2-one;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine?

The InChIKey is URTYAIZNLINBIL-PDFJQAGISA-N. The full InChI is InChI=1S/C25H29F3N6O3.C23H26F3N5O3.C20H22F3N5O2.2C19H18F3N5O2.C18H18F3N5O/c26-25(27,28)37-20-3-1-2-19(14-20)21-16-30-23-5-4-22(31-34(21)23)29-15-18-6-8-33(9-7-18)24(35)17-32-10-12-36-13-11-32;1-22(2,33)21(32)30-10-8-15(9-11-30)13-27-19-6-7-20-28-14-18(31(20)29-19)16-4-3-5-17(12-16)34-23(24,25)26;1-27-9-7-19(29,8-10-27)13-25-17-5-6-18-24-12-16(28(18)26-17)14-3-2-4-15(11-14)30-20(21,22)23;20-19(21,22)29-14-3-1-2-13(9-14)15-11-24-16-4-5-17(25-27(15)16)26-7-6-12(10-23)8-18(26)28;20-19(21,22)29-14-3-1-2-13(9-14)15-11-25-17-5-4-16(26-27(15)17)24-10-12-6-7-23-18(28)8-12;19-18(20,21)27-14-5-1-3-12(9-14)15-10-23-16-6-7-17(24-26(15)16)25-8-2-4-13(22)11-25/h1-5,14,16,18H,6-13,15,17H2,(H,29,31);3-7,12,14-15,33H,8-11,13H2,1-2H3,(H,27,29);2-6,11-12,29H,7-10,13H2,1H3,(H,25,26);1-5,9,11-12H,6-8,10,23H2;1-5,9,11-12H,6-8,10H2,(H,23,28)(H,24,26);1,3,5-7,9-10,13H,2,4,8,11,22H2/t;;;;;13-/m.....0/s1.

What are the key properties of 4-(aminomethyl)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-2-one;2-hydroxy-2-methyl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]propan-1-one;1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-2-one;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine?

4-(aminomethyl)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-2-one;2-hydroxy-2-methyl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]propan-1-one;1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-2-one;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine has a molecular weight of 2605.58 g/mol, XLogP of 19.61, 30 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(aminomethyl)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-2-one;2-hydroxy-2-methyl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]propan-1-one;1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-2-one;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine is sourced from PubChem (CID 161175734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).