4-bromo-6-chloropyridazin-3-amine;3,5-dimethylaniline;ethanol;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6-(3,5-dimethylanilino)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine

C82H98BrCl4N17O13 — CID 158003489

About 4-bromo-6-chloropyridazin-3-amine;3,5-dimethylaniline;ethanol;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6-(3,5-dimethylanilino)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine

4-bromo-6-chloropyridazin-3-amine;3,5-dimethylaniline;ethanol;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6-(3,5-dimethylanilino)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine (PubChem CID 158003489) has the molecular formula C82H98BrCl4N17O13 and a molecular weight of 1751.51 g/mol. Its IUPAC name is 4-bromo-6-chloropyridazin-3-amine;3,5-dimethylaniline;ethanol;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6-(3,5-dimethylanilino)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

• Compound Name: 4-bromo-6-chloropyridazin-3-amine;3,5-dimethylaniline;ethanol;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6-(3,5-dimethylanilino)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine
• PubChem CID: 158003489
• Molecular Formula: C82H98BrCl4N17O13
• Molecular Weight: 1751.51 g/mol
• Exact Mass: 1747.55
• IUPAC Name: 4-bromo-6-chloropyridazin-3-amine;3,5-dimethylaniline;ethanol;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6-(3,5-dimethylanilino)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine
• SMILES: CCO.CCOC(=O)C(Cl)C=O.CCOC(=O)c1cnc2c(C)cc(Cl)nn12.CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nn12.CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Nc3cc(C)cc(C)c3)nn12.CNCc1ccc(OC)cc1.Cc1cc(C)cc(N)c1.Nc1nnc(Cl)cc1Br
• InChI: InChI=1S/C26H29N5O3.C18H19ClN4O3.C10H10ClN3O2.C9H13NO.C8H11N.C5H7ClO3.C4H3BrClN3.C2H6O/c1-6-34-26(32)23-15-27-25-22(30(4)16-19-7-9-21(33-5)10-8-19)14-24(29-31(23)25)28-20-12-17(2)11-18(3)13-20;1-4-26-18(24)15-10-20-17-14(9-16(19)21-23(15)17)22(2)11-12-5-7-13(25-3)8-6-12;1-3-16-10(15)7-5-12-9-6(2)4-8(11)13-14(7)9;1-10-7-8-3-5-9(11-2)6-4-8;1-6-3-7(2)5-8(9)4-6;1-2-9-5(8)4(6)3-7;5-2-1-3(6)8-9-4(2)7;1-2-3/h7-15H,6,16H2,1-5H3,(H,28,29);5-10H,4,11H2,1-3H3;4-5H,3H2,1-2H3;3-6,10H,7H2,1-2H3;3-5H,9H2,1-2H3;3-4H,2H2,1H3;1H,(H2,7,9);3H,2H2,1H3
• InChIKey: FDZVSFNDNQKSEB-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 369.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1751.51
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloropyridazin-3-amine;3,5-dimethylaniline;ethanol;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6-(3,5-dimethylanilino)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine?

The IUPAC name of 4-bromo-6-chloropyridazin-3-amine;3,5-dimethylaniline;ethanol;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6-(3,5-dimethylanilino)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine (CID 158003489) is 4-bromo-6-chloropyridazin-3-amine;3,5-dimethylaniline;ethanol;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6-(3,5-dimethylanilino)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine.

What is the SMILES notation for 4-bromo-6-chloropyridazin-3-amine;3,5-dimethylaniline;ethanol;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6-(3,5-dimethylanilino)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine?

The canonical SMILES for 4-bromo-6-chloropyridazin-3-amine;3,5-dimethylaniline;ethanol;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6-(3,5-dimethylanilino)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine is CCO.CCOC(=O)C(Cl)C=O.CCOC(=O)c1cnc2c(C)cc(Cl)nn12.CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nn12.CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Nc3cc(C)cc(C)c3)nn12.CNCc1ccc(OC)cc1.Cc1cc(C)cc(N)c1.Nc1nnc(Cl)cc1Br.

What is the InChIKey of 4-bromo-6-chloropyridazin-3-amine;3,5-dimethylaniline;ethanol;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6-(3,5-dimethylanilino)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine?

The InChIKey is FDZVSFNDNQKSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3.C18H19ClN4O3.C10H10ClN3O2.C9H13NO.C8H11N.C5H7ClO3.C4H3BrClN3.C2H6O/c1-6-34-26(32)23-15-27-25-22(30(4)16-19-7-9-21(33-5)10-8-19)14-24(29-31(23)25)28-20-12-17(2)11-18(3)13-20;1-4-26-18(24)15-10-20-17-14(9-16(19)21-23(15)17)22(2)11-12-5-7-13(25-3)8-6-12;1-3-16-10(15)7-5-12-9-6(2)4-8(11)13-14(7)9;1-10-7-8-3-5-9(11-2)6-4-8;1-6-3-7(2)5-8(9)4-6;1-2-9-5(8)4(6)3-7;5-2-1-3(6)8-9-4(2)7;1-2-3/h7-15H,6,16H2,1-5H3,(H,28,29);5-10H,4,11H2,1-3H3;4-5H,3H2,1-2H3;3-6,10H,7H2,1-2H3;3-5H,9H2,1-2H3;3-4H,2H2,1H3;1H,(H2,7,9);3H,2H2,1H3.

What are the key properties of 4-bromo-6-chloropyridazin-3-amine;3,5-dimethylaniline;ethanol;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6-(3,5-dimethylanilino)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine?

4-bromo-6-chloropyridazin-3-amine;3,5-dimethylaniline;ethanol;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6-(3,5-dimethylanilino)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 1751.51 g/mol, XLogP of 15.11, 22 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-6-chloropyridazin-3-amine;3,5-dimethylaniline;ethanol;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-methylimidazo[1,2-b]pyridazine-3-carboxylate;ethyl 2-chloro-3-oxopropanoate;ethyl 6-(3,5-dimethylanilino)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;1-(4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 158003489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).