6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-3-carboxamide

C164H108ClF26N59O2 — CID 167651461

IUPAC6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-3-carboxamide
SMILESCC(C)n1cc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)cn1.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)nc1.Cc1cncc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)c1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5ccc(CC(=O)C6CC6)c(F)c5)nn34)ccc2n1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5cncc(Cl)c5)nn34)ccc2n1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5cncc(F)c5)nn34)ccc2n1.[C-]#[N+]c1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)cn1.[C-]#[N+]c1cncc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)c1
InChIInChI=1S/C25H18F4N6O.C21H15F3N8O.C20H17F3N8.2C20H11F3N8.C20H14F3N7.C19H11ClF3N7.C19H11F4N7/c1-34-12-16-20(32-34)7-6-17(23(16)27)25(28,29)24-31-30-22-9-8-19(33-35(22)24)15-5-4-14(18(26)10-15)11-21(36)13-2-3-13;1-25-19(33)11-3-5-15(26-9-11)16-7-8-17-27-28-20(32(17)30-16)21(23,24)13-4-6-14-12(18(13)22)10-31(2)29-14;1-11(2)30-9-12(8-24-30)15-6-7-17-25-26-19(31(17)28-15)20(22,23)14-4-5-16-13(18(14)21)10-29(3)27-16;1-24-16-7-3-11(9-25-16)14-6-8-17-26-27-19(31(17)29-14)20(22,23)13-4-5-15-12(18(13)21)10-30(2)28-15;1-24-12-7-11(8-25-9-12)15-5-6-17-26-27-19(31(17)29-15)20(22,23)14-3-4-16-13(18(14)21)10-30(2)28-16;1-11-7-12(9-24-8-11)15-5-6-17-25-26-19(30(17)28-15)20(22,23)14-3-4-16-13(18(14)21)10-29(2)27-16;2*1-29-9-12-15(27-29)3-2-13(17(12)21)19(22,23)18-26-25-16-5-4-14(28-30(16)18)10-6-11(20)8-24-7-10/h4-10,12-13H,2-3,11H2,1H3;3-10H,1-2H3,(H,25,33);4-11H,1-3H3;2*3-10H,2H3;3-10H,1-2H3;2*2-9H,1H3
InChIKeyQQHMPYDDFYYLKJ-UHFFFAOYSA-N
MW3466.48 g/mol
LogP30.03
Rot. Bonds29

About 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-3-carboxamide

6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-3-carboxamide (PubChem CID 167651461) has the molecular formula C164H108ClF26N59O2 and a molecular weight of 3466.48 g/mol. Its IUPAC name is 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-3-carboxamide
PubChem CID167651461
Molecular FormulaC164H108ClF26N59O2
Molecular Weight3466.48 g/mol
Exact Mass3463.94
IUPAC Name6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-3-carboxamide
SMILESCC(C)n1cc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)cn1.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)nc1.Cc1cncc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)c1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5ccc(CC(=O)C6CC6)c(F)c5)nn34)ccc2n1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5cncc(Cl)c5)nn34)ccc2n1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5cncc(F)c5)nn34)ccc2n1.[C-]#[N+]c1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)cn1.[C-]#[N+]c1cncc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)c1
InChIInChI=1S/C25H18F4N6O.C21H15F3N8O.C20H17F3N8.2C20H11F3N8.C20H14F3N7.C19H11ClF3N7.C19H11F4N7/c1-34-12-16-20(32-34)7-6-17(23(16)27)25(28,29)24-31-30-22-9-8-19(33-35(22)24)15-5-4-14(18(26)10-15)11-21(36)13-2-3-13;1-25-19(33)11-3-5-15(26-9-11)16-7-8-17-27-28-20(32(17)30-16)21(23,24)13-4-6-14-12(18(13)22)10-31(2)29-14;1-11(2)30-9-12(8-24-30)15-6-7-17-25-26-19(31(17)28-15)20(22,23)14-4-5-16-13(18(14)21)10-29(3)27-16;1-24-16-7-3-11(9-25-16)14-6-8-17-26-27-19(31(17)29-14)20(22,23)13-4-5-15-12(18(13)21)10-30(2)28-15;1-24-12-7-11(8-25-9-12)15-5-6-17-26-27-19(31(17)29-15)20(22,23)14-3-4-16-13(18(14)21)10-30(2)28-16;1-11-7-12(9-24-8-11)15-5-6-17-25-26-19(30(17)28-15)20(22,23)14-3-4-16-13(18(14)21)10-29(2)27-16;2*1-29-9-12-15(27-29)3-2-13(17(12)21)19(22,23)18-26-25-16-5-4-14(28-30(16)18)10-6-11(20)8-24-7-10/h4-10,12-13H,2-3,11H2,1H3;3-10H,1-2H3,(H,25,33);4-11H,1-3H3;2*3-10H,2H3;3-10H,1-2H3;2*2-9H,1H3
InChIKeyQQHMPYDDFYYLKJ-UHFFFAOYSA-N
XLogP30.03
TPSA637.25 Ų
H-Bond Donors1
H-Bond Acceptors58
Rotatable Bonds29
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003466.48
LogP ≤ 530.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

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

Analyze 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-3-carboxamide (CID 167651461) is 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-3-carboxamide is CC(C)n1cc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)cn1.CNC(=O)c1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)nc1.Cc1cncc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)c1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5ccc(CC(=O)C6CC6)c(F)c5)nn34)ccc2n1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5cncc(Cl)c5)nn34)ccc2n1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5cncc(F)c5)nn34)ccc2n1.[C-]#[N+]c1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)cn1.[C-]#[N+]c1cncc(-c2ccc3nnc(C(F)(F)c4ccc5nn(C)cc5c4F)n3n2)c1.
What is the InChIKey of 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is QQHMPYDDFYYLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N6O.C21H15F3N8O.C20H17F3N8.2C20H11F3N8.C20H14F3N7.C19H11ClF3N7.C19H11F4N7/c1-34-12-16-20(32-34)7-6-17(23(16)27)25(28,29)24-31-30-22-9-8-19(33-35(22)24)15-5-4-14(18(26)10-15)11-21(36)13-2-3-13;1-25-19(33)11-3-5-15(26-9-11)16-7-8-17-27-28-20(32(17)30-16)21(23,24)13-4-6-14-12(18(13)22)10-31(2)29-14;1-11(2)30-9-12(8-24-30)15-6-7-17-25-26-19(31(17)28-15)20(22,23)14-4-5-16-13(18(14)21)10-29(3)27-16;1-24-16-7-3-11(9-25-16)14-6-8-17-26-27-19(31(17)29-14)20(22,23)13-4-5-15-12(18(13)21)10-30(2)28-15;1-24-12-7-11(8-25-9-12)15-5-6-17-26-27-19(31(17)29-15)20(22,23)14-3-4-16-13(18(14)21)10-30(2)28-16;1-11-7-12(9-24-8-11)15-5-6-17-25-26-19(30(17)28-15)20(22,23)14-3-4-16-13(18(14)21)10-29(2)27-16;2*1-29-9-12-15(27-29)3-2-13(17(12)21)19(22,23)18-26-25-16-5-4-14(28-30(16)18)10-6-11(20)8-24-7-10/h4-10,12-13H,2-3,11H2,1H3;3-10H,1-2H3,(H,25,33);4-11H,1-3H3;2*3-10H,2H3;3-10H,1-2H3;2*2-9H,1H3.
What are the key properties of 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-3-carboxamide?
6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 3466.48 g/mol, XLogP of 30.03, 29 rotatable bonds, 1 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 167651461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).