5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;7-(cyclopropylmethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-hydroxy-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one

C70H51F10N21O5 — CID 160840256

About 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;7-(cyclopropylmethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-hydroxy-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one

5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;7-(cyclopropylmethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-hydroxy-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one (PubChem CID 160840256) has the molecular formula C70H51F10N21O5 and a molecular weight of 1456.30 g/mol. Its IUPAC name is 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;7-(cyclopropylmethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-hydroxy-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one.

Molecular Properties

• Compound Name: 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;7-(cyclopropylmethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-hydroxy-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one
• PubChem CID: 160840256
• Molecular Formula: C70H51F10N21O5
• Molecular Weight: 1456.30 g/mol
• Exact Mass: 1455.42
• IUPAC Name: 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;7-(cyclopropylmethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-hydroxy-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one
• SMILES: CC1(COCc2ccccc2)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nnc21.NC1(C(F)(F)C(F)(F)F)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc21.O=C1Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nnc2C1(O)CC1CC1
• InChI: InChI=1S/C27H21F2N7O2.C22H17F2N7O2.C21H13F6N7O/c1-27(15-38-14-16-7-3-2-4-8-16)22-24(32-26(27)37)31-23(34-33-22)21-19-11-18(28)12-30-25(19)36(35-21)13-17-9-5-6-10-20(17)29;23-13-7-14-16(30-31(20(14)25-9-13)10-12-3-1-2-4-15(12)24)18-26-19-17(28-29-18)22(33,21(32)27-19)8-11-5-6-11;22-13-6-2-1-4-10(13)9-34-17-11(5-3-7-29-17)14(33-34)16-30-8-12-15(31-16)32-18(35)19(12,28)20(23,24)21(25,26)27/h2-12H,13-15H2,1H3,(H,31,32,34,37);1-4,7,9,11,33H,5-6,8,10H2,(H,26,27,29,32);1-8H,9,28H2,(H,30,31,32,35)
• InChIKey: SHXYCCONEIUQIJ-UHFFFAOYSA-N
• XLogP: 9.97
• TPSA: 338.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1456.30
LogP ≤ 5	9.97
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-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;7-(cyclopropylmethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-hydroxy-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one?

The IUPAC name of 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;7-(cyclopropylmethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-hydroxy-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one (CID 160840256) is 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;7-(cyclopropylmethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-hydroxy-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one.

What is the SMILES notation for 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;7-(cyclopropylmethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-hydroxy-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one?

The canonical SMILES for 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;7-(cyclopropylmethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-hydroxy-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one is CC1(COCc2ccccc2)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nnc21.NC1(C(F)(F)C(F)(F)F)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc21.O=C1Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nnc2C1(O)CC1CC1.

What is the InChIKey of 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;7-(cyclopropylmethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-hydroxy-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one?

The InChIKey is SHXYCCONEIUQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N7O2.C22H17F2N7O2.C21H13F6N7O/c1-27(15-38-14-16-7-3-2-4-8-16)22-24(32-26(27)37)31-23(34-33-22)21-19-11-18(28)12-30-25(19)36(35-21)13-17-9-5-6-10-20(17)29;23-13-7-14-16(30-31(20(14)25-9-13)10-12-3-1-2-4-15(12)24)18-26-19-17(28-29-18)22(33,21(32)27-19)8-11-5-6-11;22-13-6-2-1-4-10(13)9-34-17-11(5-3-7-29-17)14(33-34)16-30-8-12-15(31-16)32-18(35)19(12,28)20(23,24)21(25,26)27/h2-12H,13-15H2,1H3,(H,31,32,34,37);1-4,7,9,11,33H,5-6,8,10H2,(H,26,27,29,32);1-8H,9,28H2,(H,30,31,32,35).

What are the key properties of 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;7-(cyclopropylmethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-hydroxy-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one?

5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;7-(cyclopropylmethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-hydroxy-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one has a molecular weight of 1456.30 g/mol, XLogP of 9.97, 16 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-(1,1,2,2,2-pentafluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;7-(cyclopropylmethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-hydroxy-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one;3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one is sourced from PubChem (CID 160840256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).