6-chloro-N-cyclobutyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide

C₇₉H₈₇Cl₄FN₂₀O₉ — CID 157364143

About 6-chloro-N-cyclobutyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide

6-chloro-N-cyclobutyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 157364143) has the molecular formula C₇₉H₈₇Cl₄FN₂₀O₉ and a molecular weight of 1621.51 g/mol. Its IUPAC name is 6-chloro-N-cyclobutyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-cyclobutyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 157364143
• Molecular Formula: C₇₉H₈₇Cl₄FN₂₀O₉
• Molecular Weight: 1621.51 g/mol
• Exact Mass: 1618.57
• IUPAC Name: 6-chloro-N-cyclobutyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NC4CC4)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NC4CCC4)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCC(C)(C)CO)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)N[C@@H]4C[C@@H]4F)cnc23)cc1
• InChI: InChI=1S/C21H26ClN5O3.C20H22ClN5O2.C19H19ClFN5O2.C19H20ClN5O2/c1-21(2,13-28)12-24-20(29)17-10-23-19-16(9-18(22)25-27(17)19)26(3)11-14-5-7-15(30-4)8-6-14;1-25(12-13-6-8-15(28-2)9-7-13)16-10-18(21)24-26-17(11-22-19(16)26)20(27)23-14-4-3-5-14;1-25(10-11-3-5-12(28-2)6-4-11)15-8-17(20)24-26-16(9-22-18(15)26)19(27)23-14-7-13(14)21;1-24(11-12-3-7-14(27-2)8-4-12)15-9-17(20)23-25-16(10-21-18(15)25)19(26)22-13-5-6-13/h5-10,28H,11-13H2,1-4H3,(H,24,29);6-11,14H,3-5,12H2,1-2H3,(H,23,27);3-6,8-9,13-14H,7,10H2,1-2H3,(H,23,27);3-4,7-10,13H,5-6,11H2,1-2H3,(H,22,26)/t;;13-,14+;/m..0./s1
• InChIKey: BIZGZCKJGNVSMP-LYVOCUCTSA-N
• XLogP: 11.87
• TPSA: 307.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1621.51
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclobutyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 6-chloro-N-cyclobutyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 157364143) is 6-chloro-N-cyclobutyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 6-chloro-N-cyclobutyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 6-chloro-N-cyclobutyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide is COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NC4CC4)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NC4CCC4)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCC(C)(C)CO)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)N[C@@H]4C[C@@H]4F)cnc23)cc1.

What is the InChIKey of 6-chloro-N-cyclobutyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is BIZGZCKJGNVSMP-LYVOCUCTSA-N. The full InChI is InChI=1S/C21H26ClN5O3.C20H22ClN5O2.C19H19ClFN5O2.C19H20ClN5O2/c1-21(2,13-28)12-24-20(29)17-10-23-19-16(9-18(22)25-27(17)19)26(3)11-14-5-7-15(30-4)8-6-14;1-25(12-13-6-8-15(28-2)9-7-13)16-10-18(21)24-26-17(11-22-19(16)26)20(27)23-14-4-3-5-14;1-25(10-11-3-5-12(28-2)6-4-11)15-8-17(20)24-26-16(9-22-18(15)26)19(27)23-14-7-13(14)21;1-24(11-12-3-7-14(27-2)8-4-12)15-9-17(20)23-25-16(10-21-18(15)25)19(26)22-13-5-6-13/h5-10,28H,11-13H2,1-4H3,(H,24,29);6-11,14H,3-5,12H2,1-2H3,(H,23,27);3-6,8-9,13-14H,7,10H2,1-2H3,(H,23,27);3-4,7-10,13H,5-6,11H2,1-2H3,(H,22,26)/t;;13-,14+;/m..0./s1.

What are the key properties of 6-chloro-N-cyclobutyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide?

6-chloro-N-cyclobutyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 1621.51 g/mol, XLogP of 11.87, 26 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-cyclobutyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[(1R,2S)-2-fluorocyclopropyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 157364143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157364143 — identifiers, structure, computed properties (public domain)

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