3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyanopyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyclopentylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethenylpyrazine-2-carboxamide;3-amino-2-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2,6-dicarboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide;methane

C109H113Cl5N48O6 — CID 158185350

IUPAC3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyanopyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyclopentylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethenylpyrazine-2-carboxamide;3-amino-2-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2,6-dicarboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide;methane
SMILESC.C.C.C.C.C=Cc1cnc(N)c(C(=O)N[C@H](C)c2nnc3ccc(Nc4cccc(Cl)c4)nn23)n1.C[C@@H](NC(=O)c1nc(-c2cccnc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C#N)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C(N)=O)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C2CCCC2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12
InChIInChI=1S/C23H19ClN10O.C23H24ClN9O.C20H18ClN9O.C19H17ClN10O2.C19H15ClN10O.5CH4/c1-13(28-23(35)20-21(25)27-12-17(30-20)14-4-3-9-26-11-14)22-32-31-19-8-7-18(33-34(19)22)29-16-6-2-5-15(24)10-16;1-13(27-23(34)20-21(25)26-12-17(29-20)14-5-2-3-6-14)22-31-30-19-10-9-18(32-33(19)22)28-16-8-4-7-15(24)11-16;1-3-13-10-23-18(22)17(26-13)20(31)24-11(2)19-28-27-16-8-7-15(29-30(16)19)25-14-6-4-5-12(21)9-14;1-9(24-19(32)15-16(21)23-8-12(26-15)17(22)31)18-28-27-14-6-5-13(29-30(14)18)25-11-4-2-3-10(20)7-11;1-10(24-19(31)16-17(22)23-9-13(8-21)26-16)18-28-27-15-6-5-14(29-30(15)18)25-12-4-2-3-11(20)7-12;;;;;/h2-13H,1H3,(H2,25,27)(H,28,35)(H,29,33);4,7-14H,2-3,5-6H2,1H3,(H2,25,26)(H,27,34)(H,28,32);3-11H,1H2,2H3,(H2,22,23)(H,24,31)(H,25,29);2-9H,1H3,(H2,21,23)(H2,22,31)(H,24,32)(H,25,29);2-7,9-10H,1H3,(H2,22,23)(H,24,31)(H,25,29);5*1H4/t2*13-;11-;9-;10-;;;;;/m11111...../s1
InChIKeyFZBQALBNPGOMIN-ADFWMMQRSA-N
MW2368.70 g/mol
LogP17.44
Rot. Bonds29

About 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyanopyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyclopentylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethenylpyrazine-2-carboxamide;3-amino-2-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2,6-dicarboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide;methane

3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyanopyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyclopentylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethenylpyrazine-2-carboxamide;3-amino-2-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2,6-dicarboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide;methane (PubChem CID 158185350) has the molecular formula C109H113Cl5N48O6 and a molecular weight of 2368.70 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyanopyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyclopentylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethenylpyrazine-2-carboxamide;3-amino-2-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2,6-dicarboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide;methane.

Molecular Properties

Compound Name3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyanopyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyclopentylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethenylpyrazine-2-carboxamide;3-amino-2-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2,6-dicarboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide;methane
PubChem CID158185350
Molecular FormulaC109H113Cl5N48O6
Molecular Weight2368.70 g/mol
Exact Mass2364.85
IUPAC Name3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyanopyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyclopentylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethenylpyrazine-2-carboxamide;3-amino-2-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2,6-dicarboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide;methane
SMILESC.C.C.C.C.C=Cc1cnc(N)c(C(=O)N[C@H](C)c2nnc3ccc(Nc4cccc(Cl)c4)nn23)n1.C[C@@H](NC(=O)c1nc(-c2cccnc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C#N)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C(N)=O)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C2CCCC2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12
InChIInChI=1S/C23H19ClN10O.C23H24ClN9O.C20H18ClN9O.C19H17ClN10O2.C19H15ClN10O.5CH4/c1-13(28-23(35)20-21(25)27-12-17(30-20)14-4-3-9-26-11-14)22-32-31-19-8-7-18(33-34(19)22)29-16-6-2-5-15(24)10-16;1-13(27-23(34)20-21(25)26-12-17(29-20)14-5-2-3-6-14)22-31-30-19-10-9-18(32-33(19)22)28-16-8-4-7-15(24)11-16;1-3-13-10-23-18(22)17(26-13)20(31)24-11(2)19-28-27-16-8-7-15(29-30(16)19)25-14-6-4-5-12(21)9-14;1-9(24-19(32)15-16(21)23-8-12(26-15)17(22)31)18-28-27-14-6-5-13(29-30(14)18)25-11-4-2-3-10(20)7-11;1-10(24-19(31)16-17(22)23-9-13(8-21)26-16)18-28-27-15-6-5-14(29-30(15)18)25-12-4-2-3-11(20)7-12;;;;;/h2-13H,1H3,(H2,25,27)(H,28,35)(H,29,33);4,7-14H,2-3,5-6H2,1H3,(H2,25,26)(H,27,34)(H,28,32);3-11H,1H2,2H3,(H2,22,23)(H,24,31)(H,25,29);2-9H,1H3,(H2,21,23)(H2,22,31)(H,24,32)(H,25,29);2-7,9-10H,1H3,(H2,22,23)(H,24,31)(H,25,29);5*1H4/t2*13-;11-;9-;10-;;;;;/m11111...../s1
InChIKeyFZBQALBNPGOMIN-ADFWMMQRSA-N
XLogP17.44
TPSA759.82 Ų
H-Bond Donors16
H-Bond Acceptors48
Rotatable Bonds29
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002368.70
LogP ≤ 517.44
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1048

Analyze 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyanopyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyclopentylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethenylpyrazine-2-carboxamide;3-amino-2-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2,6-dicarboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide;methane with MolForge

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Related Compounds

[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 157225219
(2R)-2-amino-3-cyclohexyl-1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]propan-1-one;tert-butyl 4-(6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazine-1-carboxylate;tert-butyl N-[(2R)-3-cyclohexyl-1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamate;1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 157251297
2-(6-chloro-3-pyridinyl)-N-[(1S)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrazol-1-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;bis(4-methyl-N-[2-(4-methylcyclohexyl)propan-2-yl]-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide)
CID 158859836
5-(6-chloro-2-pyridinyl)-N-[(1S)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-chloro-2-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-cyano-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-fluoro-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163671278
6-chloro-N-(2-cyclobutylpropan-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-(cyclobutanecarbonyl)-8-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide;bis(N-(2-cyclobutylpropan-2-yl)-6,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide);N-(2-cyclobutylpropan-2-yl)-6-isocyano-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-6,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;N-(cyclopropanecarbonyl)-8-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide;N-(1-cyclopropylcyclopropyl)-8-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 163858434
3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide
CID 24831830
6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 157059152
5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide
CID 157138420
2-amino-N-[4-(2-chloro-3-pyridinyl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[1-(1-methylpiperidine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(2-fluoro-3-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(4-methylpyridazin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157150088
3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-cyclopentylprop-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(4-methylpent-1-ynyl)pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pent-1-ynylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(2-phenylethynyl)pyrazine-2-carboxamide
CID 157182966
5-amino-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-amino-9-propan-2-yl-3H-purine-6-thione;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-isocyano-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;2-methylidene-9-propan-2-yl-3H-purin-6-one;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-methyl-9-propan-2-ylpurine;1-propan-2-yl-5H-benzimidazol-4-one;3-propan-2-yl-7H-imidazo[1,2-b]pyridazin-8-one;3-propan-2-ylimidazo[4,5-b]pyridine;7-propan-2-yl-3H-imidazo[4,5-c]pyridazin-4-one;3-propan-2-yl-6H-imidazo[4,5-c]pyridin-7-one;3-propan-2-yl-6H-pyrazolo[1,5-a]pyrimidin-7-one;1-propan-2-yl-5H-pyrazolo[5,4-b]pyridin-4-one;7-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-amine;3-propan-2-yl-6H-triazolo[4,5-b]pyridin-7-one
CID 157184370
3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[(1R)-1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]ethyl]amino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[6-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 157230421

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyanopyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyclopentylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethenylpyrazine-2-carboxamide;3-amino-2-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2,6-dicarboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide;methane?
The IUPAC name of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyanopyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyclopentylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethenylpyrazine-2-carboxamide;3-amino-2-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2,6-dicarboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide;methane (CID 158185350) is 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyanopyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyclopentylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethenylpyrazine-2-carboxamide;3-amino-2-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2,6-dicarboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide;methane.
What is the SMILES notation for 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyanopyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyclopentylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethenylpyrazine-2-carboxamide;3-amino-2-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2,6-dicarboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide;methane?
The canonical SMILES for 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyanopyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyclopentylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethenylpyrazine-2-carboxamide;3-amino-2-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2,6-dicarboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide;methane is C.C.C.C.C.C=Cc1cnc(N)c(C(=O)N[C@H](C)c2nnc3ccc(Nc4cccc(Cl)c4)nn23)n1.C[C@@H](NC(=O)c1nc(-c2cccnc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C#N)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C(N)=O)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(C2CCCC2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.
What is the InChIKey of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyanopyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyclopentylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethenylpyrazine-2-carboxamide;3-amino-2-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2,6-dicarboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide;methane?
The InChIKey is FZBQALBNPGOMIN-ADFWMMQRSA-N. The full InChI is InChI=1S/C23H19ClN10O.C23H24ClN9O.C20H18ClN9O.C19H17ClN10O2.C19H15ClN10O.5CH4/c1-13(28-23(35)20-21(25)27-12-17(30-20)14-4-3-9-26-11-14)22-32-31-19-8-7-18(33-34(19)22)29-16-6-2-5-15(24)10-16;1-13(27-23(34)20-21(25)26-12-17(29-20)14-5-2-3-6-14)22-31-30-19-10-9-18(32-33(19)22)28-16-8-4-7-15(24)11-16;1-3-13-10-23-18(22)17(26-13)20(31)24-11(2)19-28-27-16-8-7-15(29-30(16)19)25-14-6-4-5-12(21)9-14;1-9(24-19(32)15-16(21)23-8-12(26-15)17(22)31)18-28-27-14-6-5-13(29-30(14)18)25-11-4-2-3-10(20)7-11;1-10(24-19(31)16-17(22)23-9-13(8-21)26-16)18-28-27-15-6-5-14(29-30(15)18)25-12-4-2-3-11(20)7-12;;;;;/h2-13H,1H3,(H2,25,27)(H,28,35)(H,29,33);4,7-14H,2-3,5-6H2,1H3,(H2,25,26)(H,27,34)(H,28,32);3-11H,1H2,2H3,(H2,22,23)(H,24,31)(H,25,29);2-9H,1H3,(H2,21,23)(H2,22,31)(H,24,32)(H,25,29);2-7,9-10H,1H3,(H2,22,23)(H,24,31)(H,25,29);5*1H4/t2*13-;11-;9-;10-;;;;;/m11111...../s1.
What are the key properties of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyanopyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyclopentylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethenylpyrazine-2-carboxamide;3-amino-2-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2,6-dicarboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide;methane?
3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyanopyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyclopentylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethenylpyrazine-2-carboxamide;3-amino-2-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2,6-dicarboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide;methane has a molecular weight of 2368.70 g/mol, XLogP of 17.44, 29 rotatable bonds, 16 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyanopyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-cyclopentylpyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-ethenylpyrazine-2-carboxamide;3-amino-2-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]pyrazine-2,6-dicarboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-pyridin-3-ylpyrazine-2-carboxamide;methane is sourced from PubChem (CID 158185350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).