5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carboximidoyl]-6-methylpyridine-3-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylic acid;methyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate;methyl 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate

C102H121BrF12N20O12Si4 — CID 164953295

About 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carboximidoyl]-6-methylpyridine-3-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylic acid;methyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate;methyl 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate

5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carboximidoyl]-6-methylpyridine-3-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylic acid;methyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate;methyl 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 164953295) has the molecular formula C102H121BrF12N20O12Si4 and a molecular weight of 2239.44 g/mol. Its IUPAC name is 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carboximidoyl]-6-methylpyridine-3-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylic acid;methyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate;methyl 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carboximidoyl]-6-methylpyridine-3-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylic acid;methyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate;methyl 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate
• PubChem CID: 164953295
• Molecular Formula: C102H121BrF12N20O12Si4
• Molecular Weight: 2239.44 g/mol
• Exact Mass: 2236.75
• IUPAC Name: 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carboximidoyl]-6-methylpyridine-3-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylic acid;methyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate;methyl 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate
• SMILES: COC(=O)c1cnc2c(c1)c(Br)nn2COCC[Si](C)(C)C.COC(=O)c1cnc2c(c1)c(N1C[C@@H](F)C[C@@H]1c1cc(F)ccc1F)nn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1nc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)c2cc(C(=O)O)cnc21.C[Si](C)(C)CCOCn1nc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)c2cc(C(N)=O)cnc21.[H]/N=C(\c1cc(C(N)=O)cnc1C)N1C[C@@H](F)C[C@@H]1c1cc(F)ccc1F
• InChI: InChI=1S/C24H29F3N4O3Si.C23H28F3N5O2Si.C23H27F3N4O3Si.C18H17F3N4O.C14H20BrN3O3Si/c1-33-24(32)15-9-19-22(28-12-15)31(14-34-7-8-35(2,3)4)29-23(19)30-13-17(26)11-21(30)18-10-16(25)5-6-20(18)27;1-34(2,3)7-6-33-13-31-22-18(8-14(11-28-22)21(27)32)23(29-31)30-12-16(25)10-20(30)17-9-15(24)4-5-19(17)26;1-34(2,3)7-6-33-13-30-21-18(8-14(11-27-21)23(31)32)22(28-30)29-12-16(25)10-20(29)17-9-15(24)4-5-19(17)26;1-9-13(4-10(7-24-9)18(23)26)17(22)25-8-12(20)6-16(25)14-5-11(19)2-3-15(14)21;1-20-14(19)10-7-11-12(15)17-18(13(11)16-8-10)9-21-5-6-22(2,3)4/h5-6,9-10,12,17,21H,7-8,11,13-14H2,1-4H3;4-5,8-9,11,16,20H,6-7,10,12-13H2,1-3H3,(H2,27,32);4-5,8-9,11,16,20H,6-7,10,12-13H2,1-3H3,(H,31,32);2-5,7,12,16,22H,6,8H2,1H3,(H2,23,26);7-8H,5-6,9H2,1-4H3/b;;;22-17+;/t17-,21+;2*16-,20+;12-,16+;/m0000./s1
• InChIKey: AVCJTMPCDRQPGA-DTOGJWEMSA-N
• XLogP: 20.69
• TPSA: 385.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 33
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2239.44
LogP ≤ 5	20.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carboximidoyl]-6-methylpyridine-3-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylic acid;methyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate;methyl 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate?

The IUPAC name of 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carboximidoyl]-6-methylpyridine-3-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylic acid;methyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate;methyl 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate (CID 164953295) is 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carboximidoyl]-6-methylpyridine-3-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylic acid;methyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate;methyl 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate.

What is the SMILES notation for 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carboximidoyl]-6-methylpyridine-3-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylic acid;methyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate;methyl 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate?

The canonical SMILES for 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carboximidoyl]-6-methylpyridine-3-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylic acid;methyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate;methyl 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate is COC(=O)c1cnc2c(c1)c(Br)nn2COCC[Si](C)(C)C.COC(=O)c1cnc2c(c1)c(N1C[C@@H](F)C[C@@H]1c1cc(F)ccc1F)nn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1nc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)c2cc(C(=O)O)cnc21.C[Si](C)(C)CCOCn1nc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)c2cc(C(N)=O)cnc21.[H]/N=C(\c1cc(C(N)=O)cnc1C)N1C[C@@H](F)C[C@@H]1c1cc(F)ccc1F.

What is the InChIKey of 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carboximidoyl]-6-methylpyridine-3-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylic acid;methyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate;methyl 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate?

The InChIKey is AVCJTMPCDRQPGA-DTOGJWEMSA-N. The full InChI is InChI=1S/C24H29F3N4O3Si.C23H28F3N5O2Si.C23H27F3N4O3Si.C18H17F3N4O.C14H20BrN3O3Si/c1-33-24(32)15-9-19-22(28-12-15)31(14-34-7-8-35(2,3)4)29-23(19)30-13-17(26)11-21(30)18-10-16(25)5-6-20(18)27;1-34(2,3)7-6-33-13-31-22-18(8-14(11-28-22)21(27)32)23(29-31)30-12-16(25)10-20(30)17-9-15(24)4-5-19(17)26;1-34(2,3)7-6-33-13-30-21-18(8-14(11-27-21)23(31)32)22(28-30)29-12-16(25)10-20(29)17-9-15(24)4-5-19(17)26;1-9-13(4-10(7-24-9)18(23)26)17(22)25-8-12(20)6-16(25)14-5-11(19)2-3-15(14)21;1-20-14(19)10-7-11-12(15)17-18(13(11)16-8-10)9-21-5-6-22(2,3)4/h5-6,9-10,12,17,21H,7-8,11,13-14H2,1-4H3;4-5,8-9,11,16,20H,6-7,10,12-13H2,1-3H3,(H2,27,32);4-5,8-9,11,16,20H,6-7,10,12-13H2,1-3H3,(H,31,32);2-5,7,12,16,22H,6,8H2,1H3,(H2,23,26);7-8H,5-6,9H2,1-4H3/b;;;22-17+;/t17-,21+;2*16-,20+;12-,16+;/m0000./s1.

What are the key properties of 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carboximidoyl]-6-methylpyridine-3-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylic acid;methyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate;methyl 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate?

5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carboximidoyl]-6-methylpyridine-3-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylic acid;methyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate;methyl 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 2239.44 g/mol, XLogP of 20.69, 33 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carboximidoyl]-6-methylpyridine-3-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylic acid;methyl 3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate;methyl 3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 164953295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).