N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide

C94H112F13N39O10S5 — CID 158614976

About N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide

N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide (PubChem CID 158614976) has the molecular formula C94H112F13N39O10S5 and a molecular weight of 2355.50 g/mol. Its IUPAC name is N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide
• PubChem CID: 158614976
• Molecular Formula: C94H112F13N39O10S5
• Molecular Weight: 2355.50 g/mol
• Exact Mass: 2353.79
• IUPAC Name: N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide
• SMILES: CC(NS(C)(=O)=O)C1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCN1.CC1C(CNS(C)(=O)=O)C(F)(F)C(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)N(C2CC2)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)NCCN1c1cc(-c2cnc3ccc(C(F)(F)F)nn23)ncn1.CN1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1CS(N)(=O)=O
• InChI: InChI=1S/C21H26F2N8O2S.C20H23F4N7O2S.C18H21F3N8O2S.C18H22F2N8O2S.C17H20F2N8O2S/c1-13-17(11-27-34(2,32)33)30(14-3-4-14)8-7-29(13)20-9-16(25-12-26-20)18-10-24-19-6-5-15(21(22)23)28-31(18)19;1-11-9-30(12(2)13(20(11,23)24)7-28-34(3,32)33)18-6-15(26-10-27-18)16-8-25-17-5-4-14(19(21)22)29-31(16)17;1-11-13(8-26-32(2,30)31)22-5-6-28(11)17-7-12(24-10-25-17)14-9-23-16-4-3-15(18(19,20)21)27-29(14)16;1-11(26-31(2,29)30)14-9-27(6-5-21-14)17-7-13(23-10-24-17)15-8-22-16-4-3-12(18(19)20)25-28(15)16;1-25-4-5-26(8-11(25)9-30(20,28)29)16-6-13(22-10-23-16)14-7-21-15-3-2-12(17(18)19)24-27(14)15/h5-6,9-10,12-14,17,21,27H,3-4,7-8,11H2,1-2H3;4-6,8,10-13,19,28H,7,9H2,1-3H3;3-4,7,9-11,13,22,26H,5-6,8H2,1-2H3;3-4,7-8,10-11,14,18,21,26H,5-6,9H2,1-2H3;2-3,6-7,10-11,17H,4-5,8-9H2,1H3,(H2,20,28,29)
• InChIKey: HXGYDZUCCSSXBY-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 571.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 44
• Rotatable Bonds: 29
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2355.50
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide?

The IUPAC name of N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide (CID 158614976) is N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide.

What is the SMILES notation for N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide?

The canonical SMILES for N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide is CC(NS(C)(=O)=O)C1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCN1.CC1C(CNS(C)(=O)=O)C(F)(F)C(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)N(C2CC2)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)NCCN1c1cc(-c2cnc3ccc(C(F)(F)F)nn23)ncn1.CN1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1CS(N)(=O)=O.

What is the InChIKey of N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide?

The InChIKey is HXGYDZUCCSSXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N8O2S.C20H23F4N7O2S.C18H21F3N8O2S.C18H22F2N8O2S.C17H20F2N8O2S/c1-13-17(11-27-34(2,32)33)30(14-3-4-14)8-7-29(13)20-9-16(25-12-26-20)18-10-24-19-6-5-15(21(22)23)28-31(18)19;1-11-9-30(12(2)13(20(11,23)24)7-28-34(3,32)33)18-6-15(26-10-27-18)16-8-25-17-5-4-14(19(21)22)29-31(16)17;1-11-13(8-26-32(2,30)31)22-5-6-28(11)17-7-12(24-10-25-17)14-9-23-16-4-3-15(18(19,20)21)27-29(14)16;1-11(26-31(2,29)30)14-9-27(6-5-21-14)17-7-13(23-10-24-17)15-8-22-16-4-3-12(18(19)20)25-28(15)16;1-25-4-5-26(8-11(25)9-30(20,28)29)16-6-13(22-10-23-16)14-7-21-15-3-2-12(17(18)19)24-27(14)15/h5-6,9-10,12-14,17,21,27H,3-4,7-8,11H2,1-2H3;4-6,8,10-13,19,28H,7,9H2,1-3H3;3-4,7,9-11,13,22,26H,5-6,8H2,1-2H3;3-4,7-8,10-11,14,18,21,26H,5-6,9H2,1-2H3;2-3,6-7,10-11,17H,4-5,8-9H2,1H3,(H2,20,28,29).

What are the key properties of N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide?

N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide has a molecular weight of 2355.50 g/mol, XLogP of 6.78, 29 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]methanesulfonamide;N-[1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]ethyl]methanesulfonamide;N-[[3-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 158614976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).