6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropylethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(3-isocyanothiophen-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide

C150H116F26N40O10S — CID 163750360

IUPAC6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropylethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(3-isocyanothiophen-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(-c2ccc(F)cc2C#N)nn2c(C(=O)N[C@@H](C)C(F)(F)F)cnc12.Cc1cc(-c2ccc(F)cc2C#N)nn2c(C(=O)N[C@@H](C3CC3)C(F)(F)F)cnc12.Cc1cc(-c2ccc(F)cc2C#N)nn2c(C(=O)N[C@H](C)C(F)(F)F)cnc12.Cc1cc(-c2ccc(F)cc2C#N)nn2c(C(=O)N[C@H](C)C3CC3)cnc12.Cc1cc(-c2ccc(F)cc2C#N)nn2c(C(=O)N[C@H](C3CC3)C(F)(F)F)cnc12.[C-]#[N+]c1ccc(-c2cc(C)c3ncc(C(=O)N[C@@H](C4CC4)C(F)(F)F)n3n2)o1.[C-]#[N+]c1ccc(-c2cc(C)c3ncc(C(=O)N[C@H](C4CC4)C(F)(F)F)n3n2)o1.[C-]#[N+]c1ccsc1-c1cc(C)c2ncc(C(=O)N[C@H](C3CC3)C(F)(F)F)n2n1
InChIInChI=1S/2C20H15F4N5O.C20H18FN5O.2C18H13F4N5O.2C18H14F3N5O2.C18H14F3N5OS/c2*1-10-6-15(14-5-4-13(21)7-12(14)8-25)28-29-16(9-26-18(10)29)19(30)27-17(11-2-3-11)20(22,23)24;1-11-7-17(16-6-5-15(21)8-14(16)9-22)25-26-18(10-23-19(11)26)20(27)24-12(2)13-3-4-13;2*1-9-5-14(13-4-3-12(19)6-11(13)7-23)26-27-15(8-24-16(9)27)17(28)25-10(2)18(20,21)22;2*1-9-7-11(13-5-6-14(22-2)28-13)25-26-12(8-23-16(9)26)17(27)24-15(10-3-4-10)18(19,20)21;1-9-7-12(14-11(22-2)5-6-28-14)25-26-13(8-23-16(9)26)17(27)24-15(10-3-4-10)18(19,20)21/h2*4-7,9,11,17H,2-3H2,1H3,(H,27,30);5-8,10,12-13H,3-4H2,1-2H3,(H,24,27);2*3-6,8,10H,1-2H3,(H,25,28);3*5-8,10,15H,3-4H2,1H3,(H,24,27)/t2*17-;12-;2*10-;3*15-/m10110101/s1
InChIKeyLPLSMDQQCQCLRU-MRKSHWRQSA-N
MW3164.86 g/mol
LogP29.83
Rot. Bonds30

About 6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropylethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(3-isocyanothiophen-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide

6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropylethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(3-isocyanothiophen-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 163750360) has the molecular formula C150H116F26N40O10S and a molecular weight of 3164.86 g/mol. Its IUPAC name is 6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropylethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(3-isocyanothiophen-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropylethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(3-isocyanothiophen-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID163750360
Molecular FormulaC150H116F26N40O10S
Molecular Weight3164.86 g/mol
Exact Mass3162.91
IUPAC Name6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropylethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(3-isocyanothiophen-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(-c2ccc(F)cc2C#N)nn2c(C(=O)N[C@@H](C)C(F)(F)F)cnc12.Cc1cc(-c2ccc(F)cc2C#N)nn2c(C(=O)N[C@@H](C3CC3)C(F)(F)F)cnc12.Cc1cc(-c2ccc(F)cc2C#N)nn2c(C(=O)N[C@H](C)C(F)(F)F)cnc12.Cc1cc(-c2ccc(F)cc2C#N)nn2c(C(=O)N[C@H](C)C3CC3)cnc12.Cc1cc(-c2ccc(F)cc2C#N)nn2c(C(=O)N[C@H](C3CC3)C(F)(F)F)cnc12.[C-]#[N+]c1ccc(-c2cc(C)c3ncc(C(=O)N[C@@H](C4CC4)C(F)(F)F)n3n2)o1.[C-]#[N+]c1ccc(-c2cc(C)c3ncc(C(=O)N[C@H](C4CC4)C(F)(F)F)n3n2)o1.[C-]#[N+]c1ccsc1-c1cc(C)c2ncc(C(=O)N[C@H](C3CC3)C(F)(F)F)n2n1
InChIInChI=1S/2C20H15F4N5O.C20H18FN5O.2C18H13F4N5O.2C18H14F3N5O2.C18H14F3N5OS/c2*1-10-6-15(14-5-4-13(21)7-12(14)8-25)28-29-16(9-26-18(10)29)19(30)27-17(11-2-3-11)20(22,23)24;1-11-7-17(16-6-5-15(21)8-14(16)9-22)25-26-18(10-23-19(11)26)20(27)24-12(2)13-3-4-13;2*1-9-5-14(13-4-3-12(19)6-11(13)7-23)26-27-15(8-24-16(9)27)17(28)25-10(2)18(20,21)22;2*1-9-7-11(13-5-6-14(22-2)28-13)25-26-12(8-23-16(9)26)17(27)24-15(10-3-4-10)18(19,20)21;1-9-7-12(14-11(22-2)5-6-28-14)25-26-13(8-23-16(9)26)17(27)24-15(10-3-4-10)18(19,20)21/h2*4-7,9,11,17H,2-3H2,1H3,(H,27,30);5-8,10,12-13H,3-4H2,1-2H3,(H,24,27);2*3-6,8,10H,1-2H3,(H,25,28);3*5-8,10,15H,3-4H2,1H3,(H,24,27)/t2*17-;12-;2*10-;3*15-/m10110101/s1
InChIKeyLPLSMDQQCQCLRU-MRKSHWRQSA-N
XLogP29.83
TPSA632.63 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds30
Heavy Atoms227
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003164.86
LogP ≤ 529.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropylethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(3-isocyanothiophen-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropylethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(3-isocyanothiophen-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropylethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(3-isocyanothiophen-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide (CID 163750360) is 6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropylethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(3-isocyanothiophen-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropylethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(3-isocyanothiophen-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropylethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(3-isocyanothiophen-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide is Cc1cc(-c2ccc(F)cc2C#N)nn2c(C(=O)N[C@@H](C)C(F)(F)F)cnc12.Cc1cc(-c2ccc(F)cc2C#N)nn2c(C(=O)N[C@@H](C3CC3)C(F)(F)F)cnc12.Cc1cc(-c2ccc(F)cc2C#N)nn2c(C(=O)N[C@H](C)C(F)(F)F)cnc12.Cc1cc(-c2ccc(F)cc2C#N)nn2c(C(=O)N[C@H](C)C3CC3)cnc12.Cc1cc(-c2ccc(F)cc2C#N)nn2c(C(=O)N[C@H](C3CC3)C(F)(F)F)cnc12.[C-]#[N+]c1ccc(-c2cc(C)c3ncc(C(=O)N[C@@H](C4CC4)C(F)(F)F)n3n2)o1.[C-]#[N+]c1ccc(-c2cc(C)c3ncc(C(=O)N[C@H](C4CC4)C(F)(F)F)n3n2)o1.[C-]#[N+]c1ccsc1-c1cc(C)c2ncc(C(=O)N[C@H](C3CC3)C(F)(F)F)n2n1.
What is the InChIKey of 6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropylethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(3-isocyanothiophen-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is LPLSMDQQCQCLRU-MRKSHWRQSA-N. The full InChI is InChI=1S/2C20H15F4N5O.C20H18FN5O.2C18H13F4N5O.2C18H14F3N5O2.C18H14F3N5OS/c2*1-10-6-15(14-5-4-13(21)7-12(14)8-25)28-29-16(9-26-18(10)29)19(30)27-17(11-2-3-11)20(22,23)24;1-11-7-17(16-6-5-15(21)8-14(16)9-22)25-26-18(10-23-19(11)26)20(27)24-12(2)13-3-4-13;2*1-9-5-14(13-4-3-12(19)6-11(13)7-23)26-27-15(8-24-16(9)27)17(28)25-10(2)18(20,21)22;2*1-9-7-11(13-5-6-14(22-2)28-13)25-26-12(8-23-16(9)26)17(27)24-15(10-3-4-10)18(19,20)21;1-9-7-12(14-11(22-2)5-6-28-14)25-26-13(8-23-16(9)26)17(27)24-15(10-3-4-10)18(19,20)21/h2*4-7,9,11,17H,2-3H2,1H3,(H,27,30);5-8,10,12-13H,3-4H2,1-2H3,(H,24,27);2*3-6,8,10H,1-2H3,(H,25,28);3*5-8,10,15H,3-4H2,1H3,(H,24,27)/t2*17-;12-;2*10-;3*15-/m10110101/s1.
What are the key properties of 6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropylethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(3-isocyanothiophen-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide?
6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropylethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(3-isocyanothiophen-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 3164.86 g/mol, XLogP of 29.83, 30 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropylethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyano-4-fluorophenyl)-8-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(5-isocyanofuran-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-(3-isocyanothiophen-2-yl)-8-methylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 163750360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).