N-[[(2S,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(oxan-4-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine

C108H118F14N38O9S3 — CID 158655402

About N-[[(2S,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(oxan-4-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine

N-[[(2S,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(oxan-4-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine (PubChem CID 158655402) has the molecular formula C108H118F14N38O9S3 and a molecular weight of 2454.56 g/mol. Its IUPAC name is N-[[(2S,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(oxan-4-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: N-[[(2S,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(oxan-4-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine
• PubChem CID: 158655402
• Molecular Formula: C108H118F14N38O9S3
• Molecular Weight: 2454.56 g/mol
• Exact Mass: 2452.89
• IUPAC Name: N-[[(2S,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(oxan-4-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine
• SMILES: CC(=O)N1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C(C)C1.CC1C(CNS(C)(=O)=O)C(C)(O)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CS(=O)(=O)CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.C[C@@H]1CCCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@H]1[C@@H](CNS(C)(=O)=O)CC(F)(F)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.FC(F)c1ccc2ncc(-c3cc(C4CCOCC4)ncn3)n2n1
• InChI: InChI=1S/C20H25F2N7O3S.C19H21F4N7O2S.C18H19F2N7O.C18H20F2N6O2S.C17H18F2N6.C16H15F2N5O/c1-12-13(9-26-33(3,31)32)20(2,30)6-7-28(12)18-8-15(24-11-25-18)16-10-23-17-5-4-14(19(21)22)27-29(16)17;1-11-12(7-27-33(2,31)32)6-19(22,23)9-29(11)17-5-14(25-10-26-17)15-8-24-16-4-3-13(18(20)21)28-30(15)16;1-11-9-25(12(2)28)5-6-26(11)17-7-14(22-10-23-17)15-8-21-16-4-3-13(18(19)20)24-27(15)16;1-29(27,28)10-12-3-2-6-25(9-12)17-7-14(22-11-23-17)15-8-21-16-5-4-13(18(19)20)24-26(15)16;1-11-4-2-3-7-24(11)16-8-13(21-10-22-16)14-9-20-15-6-5-12(17(18)19)23-25(14)15;17-16(18)11-1-2-15-19-8-14(23(15)22-11)13-7-12(20-9-21-13)10-3-5-24-6-4-10/h4-5,8,10-13,19,26,30H,6-7,9H2,1-3H3;3-5,8,10-12,18,27H,6-7,9H2,1-2H3;3-4,7-8,10-11,18H,5-6,9H2,1-2H3;4-5,7-8,11-12,18H,2-3,6,9-10H2,1H3;5-6,8-11,17H,2-4,7H2,1H3;1-2,7-10,16H,3-6H2/t;11-,12+;;;11-;/m.0..1./s1
• InChIKey: ICBKYYLAWBYZDL-ANYLVFODSA-N
• XLogP: 15.25
• TPSA: 528.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 44
• Rotatable Bonds: 26
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2454.56
LogP ≤ 5	15.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(oxan-4-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

The IUPAC name of N-[[(2S,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(oxan-4-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine (CID 158655402) is N-[[(2S,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(oxan-4-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine.

What is the SMILES notation for N-[[(2S,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(oxan-4-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

The canonical SMILES for N-[[(2S,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(oxan-4-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine is CC(=O)N1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C(C)C1.CC1C(CNS(C)(=O)=O)C(C)(O)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CS(=O)(=O)CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.C[C@@H]1CCCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@H]1[C@@H](CNS(C)(=O)=O)CC(F)(F)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.FC(F)c1ccc2ncc(-c3cc(C4CCOCC4)ncn3)n2n1.

What is the InChIKey of N-[[(2S,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(oxan-4-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

The InChIKey is ICBKYYLAWBYZDL-ANYLVFODSA-N. The full InChI is InChI=1S/C20H25F2N7O3S.C19H21F4N7O2S.C18H19F2N7O.C18H20F2N6O2S.C17H18F2N6.C16H15F2N5O/c1-12-13(9-26-33(3,31)32)20(2,30)6-7-28(12)18-8-15(24-11-25-18)16-10-23-17-5-4-14(19(21)22)27-29(16)17;1-11-12(7-27-33(2,31)32)6-19(22,23)9-29(11)17-5-14(25-10-26-17)15-8-24-16-4-3-13(18(20)21)28-30(15)16;1-11-9-25(12(2)28)5-6-26(11)17-7-14(22-10-23-17)15-8-21-16-4-3-13(18(19)20)24-27(15)16;1-29(27,28)10-12-3-2-6-25(9-12)17-7-14(22-11-23-17)15-8-21-16-5-4-13(18(19)20)24-26(15)16;1-11-4-2-3-7-24(11)16-8-13(21-10-22-16)14-9-20-15-6-5-12(17(18)19)23-25(14)15;17-16(18)11-1-2-15-19-8-14(23(15)22-11)13-7-12(20-9-21-13)10-3-5-24-6-4-10/h4-5,8,10-13,19,26,30H,6-7,9H2,1-3H3;3-5,8,10-12,18,27H,6-7,9H2,1-2H3;3-4,7-8,10-11,18H,5-6,9H2,1-2H3;4-5,7-8,11-12,18H,2-3,6,9-10H2,1H3;5-6,8-11,17H,2-4,7H2,1H3;1-2,7-10,16H,3-6H2/t;11-,12+;;;11-;/m.0..1./s1.

What are the key properties of N-[[(2S,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(oxan-4-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

N-[[(2S,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(oxan-4-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine has a molecular weight of 2454.56 g/mol, XLogP of 15.25, 26 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S,3R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethanone;6-(difluoromethyl)-3-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(oxan-4-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 158655402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).