N-[[1-[6-(6-cyanoimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;[6-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(2-methoxyethoxy)piperidin-3-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine-6-carbonitrile

C96H104F9N37O8S2 — CID 157484575

About N-[[1-[6-(6-cyanoimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;[6-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(2-methoxyethoxy)piperidin-3-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine-6-carbonitrile

N-[[1-[6-(6-cyanoimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;[6-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(2-methoxyethoxy)piperidin-3-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine-6-carbonitrile (PubChem CID 157484575) has the molecular formula C96H104F9N37O8S2 and a molecular weight of 2139.25 g/mol. Its IUPAC name is N-[[1-[6-(6-cyanoimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;[6-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(2-methoxyethoxy)piperidin-3-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine-6-carbonitrile.

Molecular Properties

• Compound Name: N-[[1-[6-(6-cyanoimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;[6-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(2-methoxyethoxy)piperidin-3-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine-6-carbonitrile
• PubChem CID: 157484575
• Molecular Formula: C96H104F9N37O8S2
• Molecular Weight: 2139.25 g/mol
• Exact Mass: 2137.82
• IUPAC Name: N-[[1-[6-(6-cyanoimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;[6-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(2-methoxyethoxy)piperidin-3-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine-6-carbonitrile
• SMILES: CC1CN(c2cc(-c3cnc4ccc(C#N)nn34)ncn2)C(C)C(c2cn[nH]c2)N1.COCCOC1CC(CO)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CS(=O)(=O)NCC1CCCN(c2cc(-c3cnc4ccc(C#N)nn34)ncn2)C1.CS(C)(=O)=NC1CC(C(F)(F)F)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.OCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(C2CC2)O1
• InChI: InChI=1S/C20H24F2N6O3.C20H20N10.C19H20F5N7OS.C19H20F2N6O2.C18H20N8O2S/c1-30-4-5-31-14-6-13(11-29)9-27(10-14)19-7-16(24-12-25-19)17-8-23-18-3-2-15(20(21)22)26-28(17)18;1-12-10-29(13(2)20(27-12)14-7-25-26-8-14)19-5-16(23-11-24-19)17-9-22-18-4-3-15(6-21)28-30(17)18;1-33(2,32)29-12-5-11(19(22,23)24)8-30(9-12)17-6-14(26-10-27-17)15-7-25-16-4-3-13(18(20)21)28-31(15)16;20-19(21)13-3-4-17-22-6-15(27(17)25-13)14-5-18(24-10-23-14)26-7-12(9-28)29-16(8-26)11-1-2-11;1-29(27,28)23-9-13-3-2-6-25(11-13)18-7-15(21-12-22-18)16-10-20-17-5-4-14(8-19)24-26(16)17/h2-3,7-8,12-14,20,29H,4-6,9-11H2,1H3;3-5,7-9,11-13,20,27H,10H2,1-2H3,(H,25,26);3-4,6-7,10-12,18H,5,8-9H2,1-2H3;3-6,10-12,16,19,28H,1-2,7-9H2;4-5,7,10,12-13,23H,2-3,6,9,11H2,1H3
• InChIKey: BWOBJGCQEXEPKM-UHFFFAOYSA-N
• XLogP: 10.22
• TPSA: 528.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 25
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2139.25
LogP ≤ 5	10.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-(6-cyanoimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;[6-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(2-methoxyethoxy)piperidin-3-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine-6-carbonitrile?

The IUPAC name of N-[[1-[6-(6-cyanoimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;[6-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(2-methoxyethoxy)piperidin-3-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine-6-carbonitrile (CID 157484575) is N-[[1-[6-(6-cyanoimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;[6-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(2-methoxyethoxy)piperidin-3-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine-6-carbonitrile.

What is the SMILES notation for N-[[1-[6-(6-cyanoimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;[6-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(2-methoxyethoxy)piperidin-3-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine-6-carbonitrile?

The canonical SMILES for N-[[1-[6-(6-cyanoimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;[6-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(2-methoxyethoxy)piperidin-3-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine-6-carbonitrile is CC1CN(c2cc(-c3cnc4ccc(C#N)nn34)ncn2)C(C)C(c2cn[nH]c2)N1.COCCOC1CC(CO)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CS(=O)(=O)NCC1CCCN(c2cc(-c3cnc4ccc(C#N)nn34)ncn2)C1.CS(C)(=O)=NC1CC(C(F)(F)F)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.OCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(C2CC2)O1.

What is the InChIKey of N-[[1-[6-(6-cyanoimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;[6-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(2-methoxyethoxy)piperidin-3-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine-6-carbonitrile?

The InChIKey is BWOBJGCQEXEPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N6O3.C20H20N10.C19H20F5N7OS.C19H20F2N6O2.C18H20N8O2S/c1-30-4-5-31-14-6-13(11-29)9-27(10-14)19-7-16(24-12-25-19)17-8-23-18-3-2-15(20(21)22)26-28(17)18;1-12-10-29(13(2)20(27-12)14-7-25-26-8-14)19-5-16(23-11-24-19)17-9-22-18-4-3-15(6-21)28-30(17)18;1-33(2,32)29-12-5-11(19(22,23)24)8-30(9-12)17-6-14(26-10-27-17)15-7-25-16-4-3-13(18(20)21)28-31(15)16;20-19(21)13-3-4-17-22-6-15(27(17)25-13)14-5-18(24-10-23-14)26-7-12(9-28)29-16(8-26)11-1-2-11;1-29(27,28)23-9-13-3-2-6-25(11-13)18-7-15(21-12-22-18)16-10-20-17-5-4-14(8-19)24-26(16)17/h2-3,7-8,12-14,20,29H,4-6,9-11H2,1H3;3-5,7-9,11-13,20,27H,10H2,1-2H3,(H,25,26);3-4,6-7,10-12,18H,5,8-9H2,1-2H3;3-6,10-12,16,19,28H,1-2,7-9H2;4-5,7,10,12-13,23H,2-3,6,9,11H2,1H3.

What are the key properties of N-[[1-[6-(6-cyanoimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;[6-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(2-methoxyethoxy)piperidin-3-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine-6-carbonitrile?

N-[[1-[6-(6-cyanoimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;[6-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(2-methoxyethoxy)piperidin-3-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine-6-carbonitrile has a molecular weight of 2139.25 g/mol, XLogP of 10.22, 25 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[6-(6-cyanoimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;[6-cyclopropyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(2-methoxyethoxy)piperidin-3-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine-6-carbonitrile is sourced from PubChem (CID 157484575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).