N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;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;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(4-propan-2-yloxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1,4-thiazinane 1,1-dioxide

C145H152F23N31O15S2 — CID 159792197

About N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;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;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(4-propan-2-yloxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1,4-thiazinane 1,1-dioxide

N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;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;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(4-propan-2-yloxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 159792197) has the molecular formula C145H152F23N31O15S2 and a molecular weight of 3070.10 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;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;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(4-propan-2-yloxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

• Compound Name: N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;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;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(4-propan-2-yloxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1,4-thiazinane 1,1-dioxide
• PubChem CID: 159792197
• Molecular Formula: C145H152F23N31O15S2
• Molecular Weight: 3070.10 g/mol
• Exact Mass: 3068.12
• IUPAC Name: N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;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;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(4-propan-2-yloxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1,4-thiazinane 1,1-dioxide
• SMILES: CC(C)(O)C(=O)N1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.CC(C)OC1CCC(Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.FC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CCOCC4)nn23)c1.FC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CCSCC4)nn23)c1.FC1(F)CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.O=C(CN1CCOCC1)N1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.O=S1(=O)CCN(c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
• InChI: InChI=1S/C25H29F3N6O3.C23H26F3N5O3.C22H25F3N4O2.C20H19F5N4O.C19H19F3N4O2.C19H19F3N4OS.C17H15F3N4O3S/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;1-14(2)30-17-8-6-16(7-9-17)27-20-10-11-21-26-13-19(29(21)28-20)15-4-3-5-18(12-15)31-22(23,24)25;21-19(22)8-6-13(7-9-19)11-26-17-4-5-18-27-12-16(29(18)28-17)14-2-1-3-15(10-14)30-20(23,24)25;20-19(21,22)28-15-3-1-2-14(10-15)16-12-24-18-5-4-17(25-26(16)18)23-11-13-6-8-27-9-7-13;20-19(21,22)27-15-3-1-2-14(10-15)16-12-24-18-5-4-17(25-26(16)18)23-11-13-6-8-28-9-7-13;18-17(19,20)27-13-3-1-2-12(10-13)14-11-21-15-4-5-16(22-24(14)15)23-6-8-28(25,26)9-7-23/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);3-5,10-14,16-17H,6-9H2,1-2H3,(H,27,28);1-5,10,12-13H,6-9,11H2,(H,26,28);2*1-5,10,12-13H,6-9,11H2,(H,23,25);1-5,10-11H,6-9H2
• InChIKey: NIRXXFPMWXEWDS-UHFFFAOYSA-N
• XLogP: 29.48
• TPSA: 477.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 37
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3070.10
LogP ≤ 5	29.48
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;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;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(4-propan-2-yloxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1,4-thiazinane 1,1-dioxide?

The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;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;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(4-propan-2-yloxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1,4-thiazinane 1,1-dioxide (CID 159792197) is N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;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;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(4-propan-2-yloxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1,4-thiazinane 1,1-dioxide.

What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;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;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(4-propan-2-yloxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1,4-thiazinane 1,1-dioxide?

The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;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;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(4-propan-2-yloxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1,4-thiazinane 1,1-dioxide is CC(C)(O)C(=O)N1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.CC(C)OC1CCC(Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.FC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CCOCC4)nn23)c1.FC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CCSCC4)nn23)c1.FC1(F)CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.O=C(CN1CCOCC1)N1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.O=S1(=O)CCN(c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.

What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;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;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(4-propan-2-yloxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1,4-thiazinane 1,1-dioxide?

The InChIKey is NIRXXFPMWXEWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N6O3.C23H26F3N5O3.C22H25F3N4O2.C20H19F5N4O.C19H19F3N4O2.C19H19F3N4OS.C17H15F3N4O3S/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;1-14(2)30-17-8-6-16(7-9-17)27-20-10-11-21-26-13-19(29(21)28-20)15-4-3-5-18(12-15)31-22(23,24)25;21-19(22)8-6-13(7-9-19)11-26-17-4-5-18-27-12-16(29(18)28-17)14-2-1-3-15(10-14)30-20(23,24)25;20-19(21,22)28-15-3-1-2-14(10-15)16-12-24-18-5-4-17(25-26(16)18)23-11-13-6-8-27-9-7-13;20-19(21,22)27-15-3-1-2-14(10-15)16-12-24-18-5-4-17(25-26(16)18)23-11-13-6-8-28-9-7-13;18-17(19,20)27-13-3-1-2-12(10-13)14-11-21-15-4-5-16(22-24(14)15)23-6-8-28(25,26)9-7-23/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);3-5,10-14,16-17H,6-9H2,1-2H3,(H,27,28);1-5,10,12-13H,6-9,11H2,(H,26,28);2*1-5,10,12-13H,6-9,11H2,(H,23,25);1-5,10-11H,6-9H2.

What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;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;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(4-propan-2-yloxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1,4-thiazinane 1,1-dioxide?

N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;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;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(4-propan-2-yloxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 3070.10 g/mol, XLogP of 29.48, 37 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;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;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(4-propan-2-yloxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 159792197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).