3-[difluoro(indolizin-6-yl)methyl]-6-(3-dimethylphosphorylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[[5-[(4-dimethylphosphoryl-3-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;tris(6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline);5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline

C148H133F3N47O7P7 — CID 163520297

About 3-[difluoro(indolizin-6-yl)methyl]-6-(3-dimethylphosphorylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[[5-[(4-dimethylphosphoryl-3-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;tris(6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline);5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline

3-[difluoro(indolizin-6-yl)methyl]-6-(3-dimethylphosphorylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[[5-[(4-dimethylphosphoryl-3-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;tris(6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline);5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (PubChem CID 163520297) has the molecular formula C148H133F3N47O7P7 and a molecular weight of 2955.83 g/mol. Its IUPAC name is 3-[difluoro(indolizin-6-yl)methyl]-6-(3-dimethylphosphorylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[[5-[(4-dimethylphosphoryl-3-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;tris(6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline);5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.

Molecular Properties

• Compound Name: 3-[difluoro(indolizin-6-yl)methyl]-6-(3-dimethylphosphorylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[[5-[(4-dimethylphosphoryl-3-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;tris(6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline);5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
• PubChem CID: 163520297
• Molecular Formula: C148H133F3N47O7P7
• Molecular Weight: 2955.83 g/mol
• Exact Mass: 2953.96
• IUPAC Name: 3-[difluoro(indolizin-6-yl)methyl]-6-(3-dimethylphosphorylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[[5-[(4-dimethylphosphoryl-3-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;tris(6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline);5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
• SMILES: CP(C)(=O)Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1.CP(C)(=O)Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1.CP(C)(=O)Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1.CP(C)(=O)c1ccc(Cc2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1F.CP(C)(=O)c1cccc(-c2ccc3nnc(C(F)(F)c4ccc5cccn5c4)n3n2)c1.CP(C)(=O)c1cccc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)c1.CP(C)(=O)c1cccc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)c1
• InChI: InChI=1S/C23H20FN6OP.C22H18F2N5OP.C22H19N6OP.C21H19N6OP.3C20H19N8OP/c1-32(2,31)21-8-6-15(12-19(21)24)11-18-13-26-22-23(27-18)30(29-28-22)14-16-5-7-20-17(10-16)4-3-9-25-20;1-31(2,30)18-7-3-5-15(13-18)19-10-11-20-25-26-21(29(20)27-19)22(23,24)16-8-9-17-6-4-12-28(17)14-16;1-30(2,29)18-7-3-5-17(12-18)20-13-24-21-22(25-20)28(27-26-21)14-15-8-9-19-16(11-15)6-4-10-23-19;1-29(2,28)18-7-3-5-16(11-18)19-12-22-20-21(23-19)27(25-24-20)14-15-8-9-17-6-4-10-26(17)13-15;3*1-30(2,29)13-27-12-16(9-23-27)18-10-22-19-20(24-18)28(26-25-19)11-14-5-6-17-15(8-14)4-3-7-21-17/h3-10,12-13H,11,14H2,1-2H3;3-14H,1-2H3;3-13H,14H2,1-2H3;3-13H,14H2,1-2H3;3*3-10,12H,11,13H2,1-2H3
• InChIKey: DKFYZMUMSRHPIE-UHFFFAOYSA-N
• XLogP: 25.18
• TPSA: 628.24 Ų
• H-Bond Acceptors: 54
• Rotatable Bonds: 32
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2955.83
LogP ≤ 5	25.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(indolizin-6-yl)methyl]-6-(3-dimethylphosphorylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[[5-[(4-dimethylphosphoryl-3-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;tris(6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline);5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?

The IUPAC name of 3-[difluoro(indolizin-6-yl)methyl]-6-(3-dimethylphosphorylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[[5-[(4-dimethylphosphoryl-3-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;tris(6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline);5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (CID 163520297) is 3-[difluoro(indolizin-6-yl)methyl]-6-(3-dimethylphosphorylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[[5-[(4-dimethylphosphoryl-3-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;tris(6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline);5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.

What is the SMILES notation for 3-[difluoro(indolizin-6-yl)methyl]-6-(3-dimethylphosphorylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[[5-[(4-dimethylphosphoryl-3-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;tris(6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline);5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?

The canonical SMILES for 3-[difluoro(indolizin-6-yl)methyl]-6-(3-dimethylphosphorylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[[5-[(4-dimethylphosphoryl-3-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;tris(6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline);5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is CP(C)(=O)Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1.CP(C)(=O)Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1.CP(C)(=O)Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1.CP(C)(=O)c1ccc(Cc2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1F.CP(C)(=O)c1cccc(-c2ccc3nnc(C(F)(F)c4ccc5cccn5c4)n3n2)c1.CP(C)(=O)c1cccc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)c1.CP(C)(=O)c1cccc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)c1.

What is the InChIKey of 3-[difluoro(indolizin-6-yl)methyl]-6-(3-dimethylphosphorylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[[5-[(4-dimethylphosphoryl-3-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;tris(6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline);5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?

The InChIKey is DKFYZMUMSRHPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN6OP.C22H18F2N5OP.C22H19N6OP.C21H19N6OP.3C20H19N8OP/c1-32(2,31)21-8-6-15(12-19(21)24)11-18-13-26-22-23(27-18)30(29-28-22)14-16-5-7-20-17(10-16)4-3-9-25-20;1-31(2,30)18-7-3-5-15(13-18)19-10-11-20-25-26-21(29(20)27-19)22(23,24)16-8-9-17-6-4-12-28(17)14-16;1-30(2,29)18-7-3-5-17(12-18)20-13-24-21-22(25-20)28(27-26-21)14-15-8-9-19-16(11-15)6-4-10-23-19;1-29(2,28)18-7-3-5-16(11-18)19-12-22-20-21(23-19)27(25-24-20)14-15-8-9-17-6-4-10-26(17)13-15;3*1-30(2,29)13-27-12-16(9-23-27)18-10-22-19-20(24-18)28(26-25-19)11-14-5-6-17-15(8-14)4-3-7-21-17/h3-10,12-13H,11,14H2,1-2H3;3-14H,1-2H3;3-13H,14H2,1-2H3;3-13H,14H2,1-2H3;3*3-10,12H,11,13H2,1-2H3.

What are the key properties of 3-[difluoro(indolizin-6-yl)methyl]-6-(3-dimethylphosphorylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[[5-[(4-dimethylphosphoryl-3-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;tris(6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline);5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?

3-[difluoro(indolizin-6-yl)methyl]-6-(3-dimethylphosphorylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[[5-[(4-dimethylphosphoryl-3-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;tris(6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline);5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline has a molecular weight of 2955.83 g/mol, XLogP of 25.18, 32 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[difluoro(indolizin-6-yl)methyl]-6-(3-dimethylphosphorylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[[5-[(4-dimethylphosphoryl-3-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;tris(6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline);5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is sourced from PubChem (CID 163520297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).