5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;ethyl 5-[3-[[(2,3-difluorobenzoyl)amino]methyl]pyridazin-4-yl]-2-methylpyridine-3-carboxylate;ethyl 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-2-methylpyridine-3-carboxylate

C65H48F7N15O6 — CID 157314803

IUPAC5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;ethyl 5-[3-[[(2,3-difluorobenzoyl)amino]methyl]pyridazin-4-yl]-2-methylpyridine-3-carboxylate;ethyl 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccnn3c(-c4cccc(F)c4F)nnc23)cnc1C.CCOC(=O)c1cc(-c2ccnnc2CNC(=O)c2cccc(F)c2F)cnc1C.Cc1ncc(-c2ccnn3c(-c4cccc(F)c4F)nnc23)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H15F3N6O.C21H18F2N4O3.C20H15F2N5O2/c1-13-19(24(34)30-16-7-5-15(25)6-8-16)11-14(12-28-13)17-9-10-29-33-22(17)31-32-23(33)18-3-2-4-20(26)21(18)27;1-3-30-21(29)16-9-13(10-24-12(16)2)14-7-8-26-27-18(14)11-25-20(28)15-5-4-6-17(22)19(15)23;1-3-29-20(28)15-9-12(10-23-11(15)2)13-7-8-24-27-18(13)25-26-19(27)14-5-4-6-16(21)17(14)22/h2-12H,1H3,(H,30,34);4-10H,3,11H2,1-2H3,(H,25,28);4-10H,3H2,1-2H3
InChIKeyBDLULXLETZFCAD-UHFFFAOYSA-N
MW1268.18 g/mol
LogP11.68
Rot. Bonds14

About 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;ethyl 5-[3-[[(2,3-difluorobenzoyl)amino]methyl]pyridazin-4-yl]-2-methylpyridine-3-carboxylate;ethyl 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-2-methylpyridine-3-carboxylate

5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;ethyl 5-[3-[[(2,3-difluorobenzoyl)amino]methyl]pyridazin-4-yl]-2-methylpyridine-3-carboxylate;ethyl 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-2-methylpyridine-3-carboxylate (PubChem CID 157314803) has the molecular formula C65H48F7N15O6 and a molecular weight of 1268.18 g/mol. Its IUPAC name is 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;ethyl 5-[3-[[(2,3-difluorobenzoyl)amino]methyl]pyridazin-4-yl]-2-methylpyridine-3-carboxylate;ethyl 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;ethyl 5-[3-[[(2,3-difluorobenzoyl)amino]methyl]pyridazin-4-yl]-2-methylpyridine-3-carboxylate;ethyl 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-2-methylpyridine-3-carboxylate
PubChem CID157314803
Molecular FormulaC65H48F7N15O6
Molecular Weight1268.18 g/mol
Exact Mass1267.38
IUPAC Name5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;ethyl 5-[3-[[(2,3-difluorobenzoyl)amino]methyl]pyridazin-4-yl]-2-methylpyridine-3-carboxylate;ethyl 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccnn3c(-c4cccc(F)c4F)nnc23)cnc1C.CCOC(=O)c1cc(-c2ccnnc2CNC(=O)c2cccc(F)c2F)cnc1C.Cc1ncc(-c2ccnn3c(-c4cccc(F)c4F)nnc23)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H15F3N6O.C21H18F2N4O3.C20H15F2N5O2/c1-13-19(24(34)30-16-7-5-15(25)6-8-16)11-14(12-28-13)17-9-10-29-33-22(17)31-32-23(33)18-3-2-4-20(26)21(18)27;1-3-30-21(29)16-9-13(10-24-12(16)2)14-7-8-26-27-18(14)11-25-20(28)15-5-4-6-17(22)19(15)23;1-3-29-20(28)15-9-12(10-23-11(15)2)13-7-8-24-27-18(13)25-26-19(27)14-5-4-6-16(21)17(14)22/h2-12H,1H3,(H,30,34);4-10H,3,11H2,1-2H3,(H,25,28);4-10H,3H2,1-2H3
InChIKeyBDLULXLETZFCAD-UHFFFAOYSA-N
XLogP11.68
TPSA261.41 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001268.18
LogP ≤ 511.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;ethyl 5-[3-[[(2,3-difluorobenzoyl)amino]methyl]pyridazin-4-yl]-2-methylpyridine-3-carboxylate;ethyl 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-2-methylpyridine-3-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;ethyl 5-[3-[[(2,3-difluorobenzoyl)amino]methyl]pyridazin-4-yl]-2-methylpyridine-3-carboxylate;ethyl 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-2-methylpyridine-3-carboxylate?
The IUPAC name of 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;ethyl 5-[3-[[(2,3-difluorobenzoyl)amino]methyl]pyridazin-4-yl]-2-methylpyridine-3-carboxylate;ethyl 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-2-methylpyridine-3-carboxylate (CID 157314803) is 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;ethyl 5-[3-[[(2,3-difluorobenzoyl)amino]methyl]pyridazin-4-yl]-2-methylpyridine-3-carboxylate;ethyl 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;ethyl 5-[3-[[(2,3-difluorobenzoyl)amino]methyl]pyridazin-4-yl]-2-methylpyridine-3-carboxylate;ethyl 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;ethyl 5-[3-[[(2,3-difluorobenzoyl)amino]methyl]pyridazin-4-yl]-2-methylpyridine-3-carboxylate;ethyl 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-2-methylpyridine-3-carboxylate is CCOC(=O)c1cc(-c2ccnn3c(-c4cccc(F)c4F)nnc23)cnc1C.CCOC(=O)c1cc(-c2ccnnc2CNC(=O)c2cccc(F)c2F)cnc1C.Cc1ncc(-c2ccnn3c(-c4cccc(F)c4F)nnc23)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;ethyl 5-[3-[[(2,3-difluorobenzoyl)amino]methyl]pyridazin-4-yl]-2-methylpyridine-3-carboxylate;ethyl 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-2-methylpyridine-3-carboxylate?
The InChIKey is BDLULXLETZFCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N6O.C21H18F2N4O3.C20H15F2N5O2/c1-13-19(24(34)30-16-7-5-15(25)6-8-16)11-14(12-28-13)17-9-10-29-33-22(17)31-32-23(33)18-3-2-4-20(26)21(18)27;1-3-30-21(29)16-9-13(10-24-12(16)2)14-7-8-26-27-18(14)11-25-20(28)15-5-4-6-17(22)19(15)23;1-3-29-20(28)15-9-12(10-23-11(15)2)13-7-8-24-27-18(13)25-26-19(27)14-5-4-6-16(21)17(14)22/h2-12H,1H3,(H,30,34);4-10H,3,11H2,1-2H3,(H,25,28);4-10H,3H2,1-2H3.
What are the key properties of 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;ethyl 5-[3-[[(2,3-difluorobenzoyl)amino]methyl]pyridazin-4-yl]-2-methylpyridine-3-carboxylate;ethyl 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-2-methylpyridine-3-carboxylate?
5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;ethyl 5-[3-[[(2,3-difluorobenzoyl)amino]methyl]pyridazin-4-yl]-2-methylpyridine-3-carboxylate;ethyl 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-2-methylpyridine-3-carboxylate has a molecular weight of 1268.18 g/mol, XLogP of 11.68, 14 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide;ethyl 5-[3-[[(2,3-difluorobenzoyl)amino]methyl]pyridazin-4-yl]-2-methylpyridine-3-carboxylate;ethyl 5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 157314803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).