4-amino-1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-chloro-3-(chloromethyl)benzene;1-(3-chlorophenyl)-N-methylmethanamine

C110H117BBr2Cl7N21O9 — CID 159451566

About 4-amino-1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-chloro-3-(chloromethyl)benzene;1-(3-chlorophenyl)-N-methylmethanamine

4-amino-1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-chloro-3-(chloromethyl)benzene;1-(3-chlorophenyl)-N-methylmethanamine (PubChem CID 159451566) has the molecular formula C110H117BBr2Cl7N21O9 and a molecular weight of 2296.07 g/mol. Its IUPAC name is 4-amino-1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-chloro-3-(chloromethyl)benzene;1-(3-chlorophenyl)-N-methylmethanamine.

Molecular Properties

• Compound Name: 4-amino-1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-chloro-3-(chloromethyl)benzene;1-(3-chlorophenyl)-N-methylmethanamine
• PubChem CID: 159451566
• Molecular Formula: C110H117BBr2Cl7N21O9
• Molecular Weight: 2296.07 g/mol
• Exact Mass: 2289.56
• IUPAC Name: 4-amino-1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-chloro-3-(chloromethyl)benzene;1-(3-chlorophenyl)-N-methylmethanamine
• SMILES: CC(C)(C)OC(=O)NC1CC(=O)N(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1.CN(Cc1cccc(Cl)c1)c1ccc2ncc(-c3ccc(N4CC(CC(=O)OC(C)(C)C)CC4=O)cc3)n2n1.CN(Cc1cccc(Cl)c1)c1ccc2ncc(-c3ccc(N4CC(N)CC4=O)cc3)n2n1.CN(Cc1cccc(Cl)c1)c1ccc2ncc(Br)n2n1.CNCc1cccc(Cl)c1.ClCc1cccc(Cl)c1.Clc1ccc2ncc(Br)n2n1
• InChI: InChI=1S/C30H32ClN5O3.C24H23ClN6O.C21H31BN2O5.C14H12BrClN4.C8H10ClN.C7H6Cl2.C6H3BrClN3/c1-30(2,3)39-29(38)16-21-15-28(37)35(19-21)24-10-8-22(9-11-24)25-17-32-26-12-13-27(33-36(25)26)34(4)18-20-6-5-7-23(31)14-20;1-29(14-16-3-2-4-18(25)11-16)23-10-9-22-27-13-21(31(22)28-23)17-5-7-20(8-6-17)30-15-19(26)12-24(30)32;1-19(2,3)27-18(26)23-15-12-17(25)24(13-15)16-10-8-14(9-11-16)22-28-20(4,5)21(6,7)29-22;1-19(9-10-3-2-4-11(16)7-10)14-6-5-13-17-8-12(15)20(13)18-14;1-10-6-7-3-2-4-8(9)5-7;8-5-6-2-1-3-7(9)4-6;7-4-3-9-6-2-1-5(8)10-11(4)6/h5-14,17,21H,15-16,18-19H2,1-4H3;2-11,13,19H,12,14-15,26H2,1H3;8-11,15H,12-13H2,1-7H3,(H,23,26);2-8H,9H2,1H3;2-5,10H,6H2,1H3;1-4H,5H2;1-3H
• InChIKey: LTLFKIMYORMOES-UHFFFAOYSA-N
• XLogP: 23.20
• TPSA: 312.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2296.07
LogP ≤ 5	23.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-chloro-3-(chloromethyl)benzene;1-(3-chlorophenyl)-N-methylmethanamine?

The IUPAC name of 4-amino-1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-chloro-3-(chloromethyl)benzene;1-(3-chlorophenyl)-N-methylmethanamine (CID 159451566) is 4-amino-1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-chloro-3-(chloromethyl)benzene;1-(3-chlorophenyl)-N-methylmethanamine.

What is the SMILES notation for 4-amino-1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-chloro-3-(chloromethyl)benzene;1-(3-chlorophenyl)-N-methylmethanamine?

The canonical SMILES for 4-amino-1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-chloro-3-(chloromethyl)benzene;1-(3-chlorophenyl)-N-methylmethanamine is CC(C)(C)OC(=O)NC1CC(=O)N(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1.CN(Cc1cccc(Cl)c1)c1ccc2ncc(-c3ccc(N4CC(CC(=O)OC(C)(C)C)CC4=O)cc3)n2n1.CN(Cc1cccc(Cl)c1)c1ccc2ncc(-c3ccc(N4CC(N)CC4=O)cc3)n2n1.CN(Cc1cccc(Cl)c1)c1ccc2ncc(Br)n2n1.CNCc1cccc(Cl)c1.ClCc1cccc(Cl)c1.Clc1ccc2ncc(Br)n2n1.

What is the InChIKey of 4-amino-1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-chloro-3-(chloromethyl)benzene;1-(3-chlorophenyl)-N-methylmethanamine?

The InChIKey is LTLFKIMYORMOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN5O3.C24H23ClN6O.C21H31BN2O5.C14H12BrClN4.C8H10ClN.C7H6Cl2.C6H3BrClN3/c1-30(2,3)39-29(38)16-21-15-28(37)35(19-21)24-10-8-22(9-11-24)25-17-32-26-12-13-27(33-36(25)26)34(4)18-20-6-5-7-23(31)14-20;1-29(14-16-3-2-4-18(25)11-16)23-10-9-22-27-13-21(31(22)28-23)17-5-7-20(8-6-17)30-15-19(26)12-24(30)32;1-19(2,3)27-18(26)23-15-12-17(25)24(13-15)16-10-8-14(9-11-16)22-28-20(4,5)21(6,7)29-22;1-19(9-10-3-2-4-11(16)7-10)14-6-5-13-17-8-12(15)20(13)18-14;1-10-6-7-3-2-4-8(9)5-7;8-5-6-2-1-3-7(9)4-6;7-4-3-9-6-2-1-5(8)10-11(4)6/h5-14,17,21H,15-16,18-19H2,1-4H3;2-11,13,19H,12,14-15,26H2,1H3;8-11,15H,12-13H2,1-7H3,(H,23,26);2-8H,9H2,1H3;2-5,10H,6H2,1H3;1-4H,5H2;1-3H.

What are the key properties of 4-amino-1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-chloro-3-(chloromethyl)benzene;1-(3-chlorophenyl)-N-methylmethanamine?

4-amino-1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-chloro-3-(chloromethyl)benzene;1-(3-chlorophenyl)-N-methylmethanamine has a molecular weight of 2296.07 g/mol, XLogP of 23.20, 21 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;3-bromo-6-chloroimidazo[1,2-b]pyridazine;3-bromo-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine;tert-butyl 2-[1-[4-[6-[(3-chlorophenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]-5-oxopyrrolidin-3-yl]acetate;tert-butyl N-[5-oxo-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]carbamate;1-chloro-3-(chloromethyl)benzene;1-(3-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 159451566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).