N-(6-chloro-3-methylimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide;6-chloropyridazin-3-amine;N-(6-chloro-2H-pyridin-3-ylidene)-4-methylbenzenesulfonamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-amine;2-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]-1-phenylethanone;1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]propan-2-one;3-(4-fluorophenyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C103H94BCl3F7N27O7S — CID 162012748

About N-(6-chloro-3-methylimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide;6-chloropyridazin-3-amine;N-(6-chloro-2H-pyridin-3-ylidene)-4-methylbenzenesulfonamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-amine;2-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]-1-phenylethanone;1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]propan-2-one;3-(4-fluorophenyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

N-(6-chloro-3-methylimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide;6-chloropyridazin-3-amine;N-(6-chloro-2H-pyridin-3-ylidene)-4-methylbenzenesulfonamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-amine;2-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]-1-phenylethanone;1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]propan-2-one;3-(4-fluorophenyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 162012748) has the molecular formula C103H94BCl3F7N27O7S and a molecular weight of 2104.29 g/mol. Its IUPAC name is N-(6-chloro-3-methylimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide;6-chloropyridazin-3-amine;N-(6-chloro-2H-pyridin-3-ylidene)-4-methylbenzenesulfonamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-amine;2-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]-1-phenylethanone;1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]propan-2-one;3-(4-fluorophenyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: N-(6-chloro-3-methylimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide;6-chloropyridazin-3-amine;N-(6-chloro-2H-pyridin-3-ylidene)-4-methylbenzenesulfonamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-amine;2-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]-1-phenylethanone;1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]propan-2-one;3-(4-fluorophenyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 162012748
• Molecular Formula: C103H94BCl3F7N27O7S
• Molecular Weight: 2104.29 g/mol
• Exact Mass: 2101.66
• IUPAC Name: N-(6-chloro-3-methylimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide;6-chloropyridazin-3-amine;N-(6-chloro-2H-pyridin-3-ylidene)-4-methylbenzenesulfonamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-amine;2-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]-1-phenylethanone;1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]propan-2-one;3-(4-fluorophenyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CC(=O)Cc1nc2ccc(-c3cn(C)nc3-c3ccc(F)cc3)nn2c1C.Cc1c(CC(=O)c2ccccc2)nc2ccc(-c3cn(C)nc3-c3ccc(F)cc3)nn12.Cc1c(N)nc2ccc(-c3cn(C)nc3-c3ccc(F)cc3)nn12.Cc1c(NC(=O)C(F)(F)F)nc2ccc(Cl)nn12.Cc1ccc(S(=O)(=O)N=C2C=CC(Cl)=NC2)cc1.Cn1cc(B2OC(C)(C)C(C)(C)O2)c(-c2ccc(F)cc2)n1.Nc1ccc(Cl)nn1
• InChI: InChI=1S/C25H20FN5O.C20H18FN5O.C17H15FN6.C16H20BFN2O2.C12H11ClN2O2S.C9H6ClF3N4O.C4H4ClN3/c1-16-22(14-23(32)17-6-4-3-5-7-17)27-24-13-12-21(28-31(16)24)20-15-30(2)29-25(20)18-8-10-19(26)11-9-18;1-12(27)10-18-13(2)26-19(22-18)9-8-17(23-26)16-11-25(3)24-20(16)14-4-6-15(21)7-5-14;1-10-17(19)20-15-8-7-14(21-24(10)15)13-9-23(2)22-16(13)11-3-5-12(18)6-4-11;1-15(2)16(3,4)22-17(21-15)13-10-20(5)19-14(13)11-6-8-12(18)9-7-11;1-9-2-5-11(6-3-9)18(16,17)15-10-4-7-12(13)14-8-10;1-4-7(15-8(18)9(11,12)13)14-6-3-2-5(10)16-17(4)6;5-3-1-2-4(6)8-7-3/h3-13,15H,14H2,1-2H3;4-9,11H,10H2,1-3H3;3-9H,19H2,1-2H3;6-10H,1-5H3;2-7H,8H2,1H3;2-3H,1H3,(H,15,18);1-2H,(H2,6,8)
• InChIKey: YTRPOTCLGWHHSD-UHFFFAOYSA-N
• XLogP: 18.63
• TPSA: 410.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2104.29
LogP ≤ 5	18.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-methylimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide;6-chloropyridazin-3-amine;N-(6-chloro-2H-pyridin-3-ylidene)-4-methylbenzenesulfonamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-amine;2-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]-1-phenylethanone;1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]propan-2-one;3-(4-fluorophenyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of N-(6-chloro-3-methylimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide;6-chloropyridazin-3-amine;N-(6-chloro-2H-pyridin-3-ylidene)-4-methylbenzenesulfonamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-amine;2-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]-1-phenylethanone;1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]propan-2-one;3-(4-fluorophenyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 162012748) is N-(6-chloro-3-methylimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide;6-chloropyridazin-3-amine;N-(6-chloro-2H-pyridin-3-ylidene)-4-methylbenzenesulfonamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-amine;2-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]-1-phenylethanone;1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]propan-2-one;3-(4-fluorophenyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for N-(6-chloro-3-methylimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide;6-chloropyridazin-3-amine;N-(6-chloro-2H-pyridin-3-ylidene)-4-methylbenzenesulfonamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-amine;2-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]-1-phenylethanone;1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]propan-2-one;3-(4-fluorophenyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for N-(6-chloro-3-methylimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide;6-chloropyridazin-3-amine;N-(6-chloro-2H-pyridin-3-ylidene)-4-methylbenzenesulfonamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-amine;2-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]-1-phenylethanone;1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]propan-2-one;3-(4-fluorophenyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC(=O)Cc1nc2ccc(-c3cn(C)nc3-c3ccc(F)cc3)nn2c1C.Cc1c(CC(=O)c2ccccc2)nc2ccc(-c3cn(C)nc3-c3ccc(F)cc3)nn12.Cc1c(N)nc2ccc(-c3cn(C)nc3-c3ccc(F)cc3)nn12.Cc1c(NC(=O)C(F)(F)F)nc2ccc(Cl)nn12.Cc1ccc(S(=O)(=O)N=C2C=CC(Cl)=NC2)cc1.Cn1cc(B2OC(C)(C)C(C)(C)O2)c(-c2ccc(F)cc2)n1.Nc1ccc(Cl)nn1.

What is the InChIKey of N-(6-chloro-3-methylimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide;6-chloropyridazin-3-amine;N-(6-chloro-2H-pyridin-3-ylidene)-4-methylbenzenesulfonamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-amine;2-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]-1-phenylethanone;1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]propan-2-one;3-(4-fluorophenyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is YTRPOTCLGWHHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O.C20H18FN5O.C17H15FN6.C16H20BFN2O2.C12H11ClN2O2S.C9H6ClF3N4O.C4H4ClN3/c1-16-22(14-23(32)17-6-4-3-5-7-17)27-24-13-12-21(28-31(16)24)20-15-30(2)29-25(20)18-8-10-19(26)11-9-18;1-12(27)10-18-13(2)26-19(22-18)9-8-17(23-26)16-11-25(3)24-20(16)14-4-6-15(21)7-5-14;1-10-17(19)20-15-8-7-14(21-24(10)15)13-9-23(2)22-16(13)11-3-5-12(18)6-4-11;1-15(2)16(3,4)22-17(21-15)13-10-20(5)19-14(13)11-6-8-12(18)9-7-11;1-9-2-5-11(6-3-9)18(16,17)15-10-4-7-12(13)14-8-10;1-4-7(15-8(18)9(11,12)13)14-6-3-2-5(10)16-17(4)6;5-3-1-2-4(6)8-7-3/h3-13,15H,14H2,1-2H3;4-9,11H,10H2,1-3H3;3-9H,19H2,1-2H3;6-10H,1-5H3;2-7H,8H2,1H3;2-3H,1H3,(H,15,18);1-2H,(H2,6,8).

What are the key properties of N-(6-chloro-3-methylimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide;6-chloropyridazin-3-amine;N-(6-chloro-2H-pyridin-3-ylidene)-4-methylbenzenesulfonamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-amine;2-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]-1-phenylethanone;1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]propan-2-one;3-(4-fluorophenyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

N-(6-chloro-3-methylimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide;6-chloropyridazin-3-amine;N-(6-chloro-2H-pyridin-3-ylidene)-4-methylbenzenesulfonamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-amine;2-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]-1-phenylethanone;1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]propan-2-one;3-(4-fluorophenyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 2104.29 g/mol, XLogP of 18.63, 16 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-3-methylimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide;6-chloropyridazin-3-amine;N-(6-chloro-2H-pyridin-3-ylidene)-4-methylbenzenesulfonamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-amine;2-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]-1-phenylethanone;1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]propan-2-one;3-(4-fluorophenyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 162012748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).