ethyl 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]acetate;N-[(1S)-1-(2-ethylsulfonyl-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(methylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-sulfamoyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C112H104F5N27O16S4 — CID 161010494

About ethyl 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]acetate;N-[(1S)-1-(2-ethylsulfonyl-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(methylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-sulfamoyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

ethyl 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]acetate;N-[(1S)-1-(2-ethylsulfonyl-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(methylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-sulfamoyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 161010494) has the molecular formula C112H104F5N27O16S4 and a molecular weight of 2307.49 g/mol. Its IUPAC name is ethyl 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]acetate;N-[(1S)-1-(2-ethylsulfonyl-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(methylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-sulfamoyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: ethyl 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]acetate;N-[(1S)-1-(2-ethylsulfonyl-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(methylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-sulfamoyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• PubChem CID: 161010494
• Molecular Formula: C112H104F5N27O16S4
• Molecular Weight: 2307.49 g/mol
• Exact Mass: 2305.70
• IUPAC Name: ethyl 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]acetate;N-[(1S)-1-(2-ethylsulfonyl-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(methylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-sulfamoyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• SMILES: CC(C)(O)CNS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1.CCOC(=O)CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.CCS(=O)(=O)c1cc([C@H](C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(NC)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(N)(=O)=O)c1
• InChI: InChI=1S/C24H24FN5O4S.C23H20FN5O5S.C22H21FN6O.C22H20FN5O3S.C21H19FN6O3S/c1-24(2,32)15-29-35(33,34)19-9-3-16(4-10-19)11-27-23(31)21-12-26-14-22-20(21)13-28-30(22)18-7-5-17(25)6-8-18;1-2-34-22(30)14-35(32,33)21-9-15(7-8-26-21)10-27-23(31)19-11-25-13-20-18(19)12-28-29(20)17-5-3-16(24)4-6-17;1-3-19(14-8-9-26-21(10-14)24-2)28-22(30)18-11-25-13-20-17(18)12-27-29(20)16-6-4-15(23)5-7-16;1-3-32(30,31)21-10-15(8-9-25-21)14(2)27-22(29)19-11-24-13-20-18(19)12-26-28(20)17-6-4-16(23)5-7-17;1-2-18(13-7-8-25-20(9-13)32(23,30)31)27-21(29)17-10-24-12-19-16(17)11-26-28(19)15-5-3-14(22)4-6-15/h3-10,12-14,29,32H,11,15H2,1-2H3,(H,27,31);3-9,11-13H,2,10,14H2,1H3,(H,27,31);4-13,19H,3H2,1-2H3,(H,24,26)(H,28,30);4-14H,3H2,1-2H3,(H,27,29);3-12,18H,2H2,1H3,(H,27,29)(H2,23,30,31)/t;;19-;14-;18-/m..000/s1
• InChIKey: TXBJASBGNJWSLN-YSZPYAHQSA-N
• XLogP: 14.36
• TPSA: 583.78 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 34
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2307.49
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]acetate;N-[(1S)-1-(2-ethylsulfonyl-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(methylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-sulfamoyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The IUPAC name of ethyl 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]acetate;N-[(1S)-1-(2-ethylsulfonyl-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(methylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-sulfamoyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 161010494) is ethyl 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]acetate;N-[(1S)-1-(2-ethylsulfonyl-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(methylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-sulfamoyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

What is the SMILES notation for ethyl 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]acetate;N-[(1S)-1-(2-ethylsulfonyl-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(methylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-sulfamoyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The canonical SMILES for ethyl 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]acetate;N-[(1S)-1-(2-ethylsulfonyl-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(methylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-sulfamoyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CC(C)(O)CNS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1.CCOC(=O)CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.CCS(=O)(=O)c1cc([C@H](C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(NC)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(N)(=O)=O)c1.

What is the InChIKey of ethyl 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]acetate;N-[(1S)-1-(2-ethylsulfonyl-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(methylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-sulfamoyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The InChIKey is TXBJASBGNJWSLN-YSZPYAHQSA-N. The full InChI is InChI=1S/C24H24FN5O4S.C23H20FN5O5S.C22H21FN6O.C22H20FN5O3S.C21H19FN6O3S/c1-24(2,32)15-29-35(33,34)19-9-3-16(4-10-19)11-27-23(31)21-12-26-14-22-20(21)13-28-30(22)18-7-5-17(25)6-8-18;1-2-34-22(30)14-35(32,33)21-9-15(7-8-26-21)10-27-23(31)19-11-25-13-20-18(19)12-28-29(20)17-5-3-16(24)4-6-17;1-3-19(14-8-9-26-21(10-14)24-2)28-22(30)18-11-25-13-20-17(18)12-27-29(20)16-6-4-15(23)5-7-16;1-3-32(30,31)21-10-15(8-9-25-21)14(2)27-22(29)19-11-24-13-20-18(19)12-26-28(20)17-6-4-16(23)5-7-17;1-2-18(13-7-8-25-20(9-13)32(23,30)31)27-21(29)17-10-24-12-19-16(17)11-26-28(19)15-5-3-14(22)4-6-15/h3-10,12-14,29,32H,11,15H2,1-2H3,(H,27,31);3-9,11-13H,2,10,14H2,1H3,(H,27,31);4-13,19H,3H2,1-2H3,(H,24,26)(H,28,30);4-14H,3H2,1-2H3,(H,27,29);3-12,18H,2H2,1H3,(H,27,29)(H2,23,30,31)/t;;19-;14-;18-/m..000/s1.

What are the key properties of ethyl 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]acetate;N-[(1S)-1-(2-ethylsulfonyl-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(methylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-sulfamoyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

ethyl 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]acetate;N-[(1S)-1-(2-ethylsulfonyl-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(methylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-sulfamoyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 2307.49 g/mol, XLogP of 14.36, 34 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]acetate;N-[(1S)-1-(2-ethylsulfonyl-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[(2-hydroxy-2-methylpropyl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-(methylamino)-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-sulfamoyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 161010494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).