5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-methyl-6-oxo-5,7-dihydropyrido[2,3-e][1,2,4]triazine-8-carboxylate;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one

C64H45F11N20O6 — CID 158132405

About 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-methyl-6-oxo-5,7-dihydropyrido[2,3-e][1,2,4]triazine-8-carboxylate;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one

5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-methyl-6-oxo-5,7-dihydropyrido[2,3-e][1,2,4]triazine-8-carboxylate;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 158132405) has the molecular formula C64H45F11N20O6 and a molecular weight of 1399.18 g/mol. Its IUPAC name is 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-methyl-6-oxo-5,7-dihydropyrido[2,3-e][1,2,4]triazine-8-carboxylate;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-methyl-6-oxo-5,7-dihydropyrido[2,3-e][1,2,4]triazine-8-carboxylate;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 158132405
• Molecular Formula: C64H45F11N20O6
• Molecular Weight: 1399.18 g/mol
• Exact Mass: 1398.37
• IUPAC Name: 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-methyl-6-oxo-5,7-dihydropyrido[2,3-e][1,2,4]triazine-8-carboxylate;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CCOC(=O)C1(C)CC(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nnc21.NC1(C(F)(F)F)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc21.O=C1Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc2C1(O)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C23H20FN7O3.C21H12F6N6O2.C20H13F4N7O/c1-3-34-22(33)23(2)11-16(32)26-20-18(23)28-29-19(27-20)17-14-8-6-10-25-21(14)31(30-17)12-13-7-4-5-9-15(13)24;22-13-6-2-1-4-10(13)9-33-17-11(5-3-7-28-17)14(32-33)16-29-8-12-15(30-16)31-18(34)19(12,35)20(23,24)21(25,26)27;21-13-6-2-1-4-10(13)9-31-17-11(5-3-7-26-17)14(30-31)16-27-8-12-15(28-16)29-18(32)19(12,25)20(22,23)24/h4-10H,3,11-12H2,1-2H3,(H,26,27,29,32);1-8,35H,9H2,(H,29,30,31,34);1-8H,9,25H2,(H,27,28,29,32)
• InChIKey: FSYBYKZOLCIMAF-UHFFFAOYSA-N
• XLogP: 8.79
• TPSA: 342.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1399.18
LogP ≤ 5	8.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-methyl-6-oxo-5,7-dihydropyrido[2,3-e][1,2,4]triazine-8-carboxylate;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-methyl-6-oxo-5,7-dihydropyrido[2,3-e][1,2,4]triazine-8-carboxylate;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 158132405) is 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-methyl-6-oxo-5,7-dihydropyrido[2,3-e][1,2,4]triazine-8-carboxylate;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-methyl-6-oxo-5,7-dihydropyrido[2,3-e][1,2,4]triazine-8-carboxylate;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-methyl-6-oxo-5,7-dihydropyrido[2,3-e][1,2,4]triazine-8-carboxylate;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one is CCOC(=O)C1(C)CC(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nnc21.NC1(C(F)(F)F)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc21.O=C1Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc2C1(O)C(F)(F)C(F)(F)F.

What is the InChIKey of 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-methyl-6-oxo-5,7-dihydropyrido[2,3-e][1,2,4]triazine-8-carboxylate;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is FSYBYKZOLCIMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O3.C21H12F6N6O2.C20H13F4N7O/c1-3-34-22(33)23(2)11-16(32)26-20-18(23)28-29-19(27-20)17-14-8-6-10-25-21(14)31(30-17)12-13-7-4-5-9-15(13)24;22-13-6-2-1-4-10(13)9-33-17-11(5-3-7-28-17)14(32-33)16-29-8-12-15(30-16)31-18(34)19(12,35)20(23,24)21(25,26)27;21-13-6-2-1-4-10(13)9-31-17-11(5-3-7-26-17)14(30-31)16-27-8-12-15(28-16)29-18(32)19(12,25)20(22,23)24/h4-10H,3,11-12H2,1-2H3,(H,26,27,29,32);1-8,35H,9H2,(H,29,30,31,34);1-8H,9,25H2,(H,27,28,29,32).

What are the key properties of 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-methyl-6-oxo-5,7-dihydropyrido[2,3-e][1,2,4]triazine-8-carboxylate;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?

5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-methyl-6-oxo-5,7-dihydropyrido[2,3-e][1,2,4]triazine-8-carboxylate;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1399.18 g/mol, XLogP of 8.79, 12 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-8-methyl-6-oxo-5,7-dihydropyrido[2,3-e][1,2,4]triazine-8-carboxylate;2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 158132405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).