N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]-N-methylmethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]ethanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;N-[[(2S)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide

C106H117F14N41O15S6 — CID 162213148

About N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]-N-methylmethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]ethanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;N-[[(2S)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide

N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]-N-methylmethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]ethanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;N-[[(2S)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 162213148) has the molecular formula C106H117F14N41O15S6 and a molecular weight of 2663.75 g/mol. Its IUPAC name is N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]-N-methylmethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]ethanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;N-[[(2S)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]-N-methylmethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]ethanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;N-[[(2S)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
• PubChem CID: 162213148
• Molecular Formula: C106H117F14N41O15S6
• Molecular Weight: 2663.75 g/mol
• Exact Mass: 2661.78
• IUPAC Name: N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]-N-methylmethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]ethanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;N-[[(2S)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
• SMILES: CN(C[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1)S(C)(=O)=O.CS(=O)(=O)NC[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)CCO1.CS(=O)(=O)NC[C@H]1CCCN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C1.NS(=O)(=O)CCC1CCCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.O=S(=O)(NCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1)C1COC1.O=S1(=O)CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1
• InChI: InChI=1S/C20H23F2N7O3S.C18H20F3N7O2S.C18H21F2N7O3S.C18H21F2N7O2S.C17H18F3N7O3S.C15H14F2N6O2S/c21-20(22)15-3-4-18-23-8-17(29(18)27-15)16-6-19(25-12-24-16)28-5-1-2-13(9-28)7-26-33(30,31)14-10-32-11-14;1-31(29,30)25-8-12-3-2-6-27(10-12)17-7-13(23-11-24-17)14-9-22-16-5-4-15(18(19,20)21)26-28(14)16;1-25(31(2,28)29)9-12-10-26(5-6-30-12)17-7-14(22-11-23-17)15-8-21-16-4-3-13(18(19)20)24-27(15)16;19-18(20)13-4-5-16-22-10-15(27(16)25-13)14-9-17(24-11-23-14)26-7-2-1-3-12(26)6-8-30(21,28)29;1-31(28,29)24-7-11-9-26(4-5-30-11)16-6-12(22-10-23-16)13-8-21-15-3-2-14(17(18,19)20)25-27(13)15;16-15(17)10-1-2-13-18-8-12(23(13)21-10)11-7-14(20-9-19-11)22-3-5-26(24,25)6-4-22/h3-4,6,8,12-14,20,26H,1-2,5,7,9-11H2;4-5,7,9,11-12,25H,2-3,6,8,10H2,1H3;3-4,7-8,11-12,18H,5-6,9-10H2,1-2H3;4-5,9-12,18H,1-3,6-8H2,(H2,21,28,29);2-3,6,8,10-11,24H,4-5,7,9H2,1H3;1-2,7-9,15H,3-6H2/t;2*12-;;11-;/m.11.1./s1
• InChIKey: ZTCVASORQRHWAA-SMFLZTDVSA-N
• XLogP: 9.33
• TPSA: 653.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 51
• Rotatable Bonds: 32
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2663.75
LogP ≤ 5	9.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]-N-methylmethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]ethanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;N-[[(2S)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?

The IUPAC name of N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]-N-methylmethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]ethanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;N-[[(2S)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide (CID 162213148) is N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]-N-methylmethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]ethanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;N-[[(2S)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide.

What is the SMILES notation for N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]-N-methylmethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]ethanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;N-[[(2S)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?

The canonical SMILES for N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]-N-methylmethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]ethanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;N-[[(2S)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide is CN(C[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1)S(C)(=O)=O.CS(=O)(=O)NC[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)CCO1.CS(=O)(=O)NC[C@H]1CCCN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C1.NS(=O)(=O)CCC1CCCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.O=S(=O)(NCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1)C1COC1.O=S1(=O)CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1.

What is the InChIKey of N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]-N-methylmethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]ethanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;N-[[(2S)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?

The InChIKey is ZTCVASORQRHWAA-SMFLZTDVSA-N. The full InChI is InChI=1S/C20H23F2N7O3S.C18H20F3N7O2S.C18H21F2N7O3S.C18H21F2N7O2S.C17H18F3N7O3S.C15H14F2N6O2S/c21-20(22)15-3-4-18-23-8-17(29(18)27-15)16-6-19(25-12-24-16)28-5-1-2-13(9-28)7-26-33(30,31)14-10-32-11-14;1-31(29,30)25-8-12-3-2-6-27(10-12)17-7-13(23-11-24-17)14-9-22-16-5-4-15(18(19,20)21)26-28(14)16;1-25(31(2,28)29)9-12-10-26(5-6-30-12)17-7-14(22-11-23-17)15-8-21-16-4-3-13(18(19)20)24-27(15)16;19-18(20)13-4-5-16-22-10-15(27(16)25-13)14-9-17(24-11-23-14)26-7-2-1-3-12(26)6-8-30(21,28)29;1-31(28,29)24-7-11-9-26(4-5-30-11)16-6-12(22-10-23-16)13-8-21-15-3-2-14(17(18,19)20)25-27(13)15;16-15(17)10-1-2-13-18-8-12(23(13)21-10)11-7-14(20-9-19-11)22-3-5-26(24,25)6-4-22/h3-4,6,8,12-14,20,26H,1-2,5,7,9-11H2;4-5,7,9,11-12,25H,2-3,6,8,10H2,1H3;3-4,7-8,11-12,18H,5-6,9-10H2,1-2H3;4-5,9-12,18H,1-3,6-8H2,(H2,21,28,29);2-3,6,8,10-11,24H,4-5,7,9H2,1H3;1-2,7-9,15H,3-6H2/t;2*12-;;11-;/m.11.1./s1.

What are the key properties of N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]-N-methylmethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]ethanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;N-[[(2S)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?

N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]-N-methylmethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]ethanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;N-[[(2S)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 2663.75 g/mol, XLogP of 9.33, 32 rotatable bonds, 4 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]-N-methylmethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]ethanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;N-[[(2S)-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 162213148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).