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

IUPAC6-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
SMILESCOc1ccc(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
InChIInChI=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
InChIKeyBIZGZCKJGNVSMP-LYVOCUCTSA-N
MW1621.51 g/mol
LogP11.87
Rot. Bonds26

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 Name6-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 CID157364143
Molecular FormulaC79H87Cl4FN20O9
Molecular Weight1621.51 g/mol
Exact Mass1618.57
IUPAC Name6-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
SMILESCOc1ccc(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
InChIInChI=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
InChIKeyBIZGZCKJGNVSMP-LYVOCUCTSA-N
XLogP11.87
TPSA307.27 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001621.51
LogP ≤ 511.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Related Compounds

6-Chloro-8-(cyclopropyl(4-methoxybenzyl)amino)-N-(2-fluoropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624328
6-chloro-N-(2-fluoropyridin-4-yl)-8-((4-methoxybenzyl)(pyridin-2-yl)amino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624627
6-chloro-N-(3-fluoropyridin-4-yl)-8-((4-methoxybenzyl)(pyridin-2-yl)amino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624678
6-chloro-8-(cyclopropyl(4-methoxybenzyl)amino)-N-(3-fluoropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 86649272
3-amino-5-(trifluoromethyl)benzonitrile;6-[3-cyano-5-(trifluoromethyl)anilino]-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;ethyl 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-[3-cyano-5-(trifluoromethyl)anilino]-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6,8-dichloroimidazo[1,2-b]pyridazine-3-carboxylate;N-[(4-methoxyphenyl)methyl]cyclopropanamine
CID 157728120
6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 158240427
7-amino-N-cyclopropyl-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclopropanamine;N-cyclopropyl-7-(dibenzylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(dibenzylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-(trifluoromethoxy)pyridin-3-amine
CID 167619063
N-[(1R,2S)-2-fluorocyclopropyl]-8-[(2-hydroxy-1-pyridin-2-yl-2H-pyridin-3-yl)amino]-12-[(4-methoxyphenyl)methyl]-3,6,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene-5-carboxamide
CID 169777972
N-[(1R,2S)-2-fluorocyclopropyl]-8-[[2-hydroxy-1-(5-methyl-2-pyridinyl)-2H-pyridin-3-yl]amino]-12-[(4-methoxyphenyl)methyl]-3,6,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene-5-carboxamide
CID 169778177
N-(2-chloropyridin-4-yl)-8-(cyclopropyl(4-methoxybenzyl)amino)-6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624640
6-((trans)-4-aminocyclohexylamino)-N-(2-chloropyridin-4-yl)-8-(cyclopropyl(4-methoxybenzyl)amino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624752
6-chloro-8-((4-methoxybenzyl)(5-methylpyridin-2-yl)amino)-N-(pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624858

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).