tert-butyl N-[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[6-chloro-3-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-ylcarbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-yl]carbamate;tert-butyl N-pentan-2-ylcarbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;5-methoxy-6-nitro-1H-indazole;4-(5-methoxy-6-nitroindazol-1-yl)butan-2-amine

C110H143Cl3N32O27 — CID 165055274

About tert-butyl N-[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[6-chloro-3-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-ylcarbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-yl]carbamate;tert-butyl N-pentan-2-ylcarbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;5-methoxy-6-nitro-1H-indazole;4-(5-methoxy-6-nitroindazol-1-yl)butan-2-amine

tert-butyl N-[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[6-chloro-3-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-ylcarbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-yl]carbamate;tert-butyl N-pentan-2-ylcarbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;5-methoxy-6-nitro-1H-indazole;4-(5-methoxy-6-nitroindazol-1-yl)butan-2-amine (PubChem CID 165055274) has the molecular formula C110H143Cl3N32O27 and a molecular weight of 2451.91 g/mol. Its IUPAC name is tert-butyl N-[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[6-chloro-3-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-ylcarbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-yl]carbamate;tert-butyl N-pentan-2-ylcarbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;5-methoxy-6-nitro-1H-indazole;4-(5-methoxy-6-nitroindazol-1-yl)butan-2-amine.

Molecular Properties

• Compound Name: tert-butyl N-[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[6-chloro-3-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-ylcarbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-yl]carbamate;tert-butyl N-pentan-2-ylcarbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;5-methoxy-6-nitro-1H-indazole;4-(5-methoxy-6-nitroindazol-1-yl)butan-2-amine
• PubChem CID: 165055274
• Molecular Formula: C110H143Cl3N32O27
• Molecular Weight: 2451.91 g/mol
• Exact Mass: 2448.99
• IUPAC Name: tert-butyl N-[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[6-chloro-3-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-ylcarbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-yl]carbamate;tert-butyl N-pentan-2-ylcarbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;5-methoxy-6-nitro-1H-indazole;4-(5-methoxy-6-nitroindazol-1-yl)butan-2-amine
• SMILES: CCCC(C)NC(=O)OC(C)(C)C.CN(C(=O)OC(C)(C)C)c1cc(Cl)nn2c(C(=O)O)cnc12.COc1cc2cn[nH]c2cc1[N+](=O)[O-].COc1cc2cnn(CCC(C)N)c2cc1[N+](=O)[O-].COc1cc2cnn(CCC(C)NC(=O)OC(C)(C)C)c2cc1[N+](=O)[O-].COc1cc2cnn(CCC(C)NC(=O)c3cnc4c(N(C)C(=O)OC(C)(C)C)cc(Cl)nn34)c2cc1N.COc1cc2cnn(CCC(C)NC(=O)c3cnc4c(N(C)C(=O)OC(C)(C)C)cc(Cl)nn34)c2cc1[N+](=O)[O-]
• InChI: InChI=1S/C25H29ClN8O6.C25H31ClN8O4.C17H24N4O5.C13H15ClN4O4.C12H16N4O3.C10H21NO2.C8H7N3O3/c1-14(7-8-32-16-10-17(34(37)38)20(39-6)9-15(16)12-28-32)29-23(35)19-13-27-22-18(11-21(26)30-33(19)22)31(5)24(36)40-25(2,3)4;1-14(7-8-33-17-10-16(27)20(37-6)9-15(17)12-29-33)30-23(35)19-13-28-22-18(11-21(26)31-34(19)22)32(5)24(36)38-25(2,3)4;1-11(19-16(22)26-17(2,3)4)6-7-20-13-9-14(21(23)24)15(25-5)8-12(13)10-18-20;1-13(2,3)22-12(21)17(4)7-5-9(14)16-18-8(11(19)20)6-15-10(7)18;1-8(13)3-4-15-10-6-11(16(17)18)12(19-2)5-9(10)7-14-15;1-6-7-8(2)11-9(12)13-10(3,4)5;1-14-8-2-5-4-9-10-6(5)3-7(8)11(12)13/h9-14H,7-8H2,1-6H3,(H,29,35);9-14H,7-8,27H2,1-6H3,(H,30,35);8-11H,6-7H2,1-5H3,(H,19,22);5-6H,1-4H3,(H,19,20);5-8H,3-4,13H2,1-2H3;8H,6-7H2,1-5H3,(H,11,12);2-4H,1H3,(H,9,10)
• InChIKey: QHTPKRPBGGIKAQ-UHFFFAOYSA-N
• XLogP: 19.71
• TPSA: 722.06 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 46
• Rotatable Bonds: 33
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2451.91
LogP ≤ 5	19.71
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[6-chloro-3-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-ylcarbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-yl]carbamate;tert-butyl N-pentan-2-ylcarbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;5-methoxy-6-nitro-1H-indazole;4-(5-methoxy-6-nitroindazol-1-yl)butan-2-amine?

The IUPAC name of tert-butyl N-[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[6-chloro-3-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-ylcarbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-yl]carbamate;tert-butyl N-pentan-2-ylcarbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;5-methoxy-6-nitro-1H-indazole;4-(5-methoxy-6-nitroindazol-1-yl)butan-2-amine (CID 165055274) is tert-butyl N-[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[6-chloro-3-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-ylcarbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-yl]carbamate;tert-butyl N-pentan-2-ylcarbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;5-methoxy-6-nitro-1H-indazole;4-(5-methoxy-6-nitroindazol-1-yl)butan-2-amine.

What is the SMILES notation for tert-butyl N-[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[6-chloro-3-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-ylcarbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-yl]carbamate;tert-butyl N-pentan-2-ylcarbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;5-methoxy-6-nitro-1H-indazole;4-(5-methoxy-6-nitroindazol-1-yl)butan-2-amine?

The canonical SMILES for tert-butyl N-[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[6-chloro-3-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-ylcarbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-yl]carbamate;tert-butyl N-pentan-2-ylcarbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;5-methoxy-6-nitro-1H-indazole;4-(5-methoxy-6-nitroindazol-1-yl)butan-2-amine is CCCC(C)NC(=O)OC(C)(C)C.CN(C(=O)OC(C)(C)C)c1cc(Cl)nn2c(C(=O)O)cnc12.COc1cc2cn[nH]c2cc1[N+](=O)[O-].COc1cc2cnn(CCC(C)N)c2cc1[N+](=O)[O-].COc1cc2cnn(CCC(C)NC(=O)OC(C)(C)C)c2cc1[N+](=O)[O-].COc1cc2cnn(CCC(C)NC(=O)c3cnc4c(N(C)C(=O)OC(C)(C)C)cc(Cl)nn34)c2cc1N.COc1cc2cnn(CCC(C)NC(=O)c3cnc4c(N(C)C(=O)OC(C)(C)C)cc(Cl)nn34)c2cc1[N+](=O)[O-].

What is the InChIKey of tert-butyl N-[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[6-chloro-3-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-ylcarbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-yl]carbamate;tert-butyl N-pentan-2-ylcarbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;5-methoxy-6-nitro-1H-indazole;4-(5-methoxy-6-nitroindazol-1-yl)butan-2-amine?

The InChIKey is QHTPKRPBGGIKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN8O6.C25H31ClN8O4.C17H24N4O5.C13H15ClN4O4.C12H16N4O3.C10H21NO2.C8H7N3O3/c1-14(7-8-32-16-10-17(34(37)38)20(39-6)9-15(16)12-28-32)29-23(35)19-13-27-22-18(11-21(26)30-33(19)22)31(5)24(36)40-25(2,3)4;1-14(7-8-33-17-10-16(27)20(37-6)9-15(17)12-29-33)30-23(35)19-13-28-22-18(11-21(26)31-34(19)22)32(5)24(36)38-25(2,3)4;1-11(19-16(22)26-17(2,3)4)6-7-20-13-9-14(21(23)24)15(25-5)8-12(13)10-18-20;1-13(2,3)22-12(21)17(4)7-5-9(14)16-18-8(11(19)20)6-15-10(7)18;1-8(13)3-4-15-10-6-11(16(17)18)12(19-2)5-9(10)7-14-15;1-6-7-8(2)11-9(12)13-10(3,4)5;1-14-8-2-5-4-9-10-6(5)3-7(8)11(12)13/h9-14H,7-8H2,1-6H3,(H,29,35);9-14H,7-8,27H2,1-6H3,(H,30,35);8-11H,6-7H2,1-5H3,(H,19,22);5-6H,1-4H3,(H,19,20);5-8H,3-4,13H2,1-2H3;8H,6-7H2,1-5H3,(H,11,12);2-4H,1H3,(H,9,10).

What are the key properties of tert-butyl N-[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[6-chloro-3-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-ylcarbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-yl]carbamate;tert-butyl N-pentan-2-ylcarbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;5-methoxy-6-nitro-1H-indazole;4-(5-methoxy-6-nitroindazol-1-yl)butan-2-amine?

tert-butyl N-[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[6-chloro-3-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-ylcarbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-yl]carbamate;tert-butyl N-pentan-2-ylcarbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;5-methoxy-6-nitro-1H-indazole;4-(5-methoxy-6-nitroindazol-1-yl)butan-2-amine has a molecular weight of 2451.91 g/mol, XLogP of 19.71, 33 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[4-(6-amino-5-methoxyindazol-1-yl)butan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[6-chloro-3-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-ylcarbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-[4-(5-methoxy-6-nitroindazol-1-yl)butan-2-yl]carbamate;tert-butyl N-pentan-2-ylcarbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;5-methoxy-6-nitro-1H-indazole;4-(5-methoxy-6-nitroindazol-1-yl)butan-2-amine is sourced from PubChem (CID 165055274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).