1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 3-[[5-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]-3-pyridinyl]sulfonyl]propanoate

C118H114F5N25O19S5 — CID 159235301

About 1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 3-[[5-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]-3-pyridinyl]sulfonyl]propanoate

1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 3-[[5-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]-3-pyridinyl]sulfonyl]propanoate (PubChem CID 159235301) has the molecular formula C118H114F5N25O19S5 and a molecular weight of 2441.69 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 3-[[5-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]-3-pyridinyl]sulfonyl]propanoate.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 3-[[5-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]-3-pyridinyl]sulfonyl]propanoate
• PubChem CID: 159235301
• Molecular Formula: C118H114F5N25O19S5
• Molecular Weight: 2441.69 g/mol
• Exact Mass: 2439.72
• IUPAC Name: 1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 3-[[5-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]-3-pyridinyl]sulfonyl]propanoate
• SMILES: CC(C)(CO)NS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.CCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(S(=O)(=O)CCC(=O)OC)c1.CCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(S(C)(=O)=O)c1.C[C@@H](CO)NS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1
• InChI: InChI=1S/C26H26FN5O5S.C24H24FN5O4S.C23H22FN5O4S.C23H22FN5O3S.C22H20FN5O3S/c1-3-4-23(17-11-20(13-28-12-17)38(35,36)10-9-25(33)37-2)31-26(34)22-14-29-16-24-21(22)15-30-32(24)19-7-5-18(27)6-8-19;1-24(2,15-31)29-35(33,34)19-9-3-16(4-10-19)11-27-23(32)21-12-26-14-22-20(21)13-28-30(22)18-7-5-17(25)6-8-18;1-15(14-30)28-34(32,33)19-8-2-16(3-9-19)10-26-23(31)21-11-25-13-22-20(21)12-27-29(22)18-6-4-17(24)5-7-18;1-3-4-21(15-9-18(11-25-10-15)33(2,31)32)28-23(30)20-12-26-14-22-19(20)13-27-29(22)17-7-5-16(24)6-8-17;1-3-19(14-4-9-21(25-10-14)32(2,30)31)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-7-5-15(23)6-8-16/h5-8,11-16,23H,3-4,9-10H2,1-2H3,(H,31,34);3-10,12-14,29,31H,11,15H2,1-2H3,(H,27,32);2-9,11-13,15,28,30H,10,14H2,1H3,(H,26,31);5-14,21H,3-4H2,1-2H3,(H,28,30);4-13,19H,3H2,1-2H3,(H,27,29)/t;;15-;;/m..0../s1
• InChIKey: KTJYDISCGSSUSF-NTXYNSTHSA-N
• XLogP: 15.12
• TPSA: 599.24 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 39
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2441.69
LogP ≤ 5	15.12
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 3-[[5-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]-3-pyridinyl]sulfonyl]propanoate?

The IUPAC name of 1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 3-[[5-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]-3-pyridinyl]sulfonyl]propanoate (CID 159235301) is 1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 3-[[5-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]-3-pyridinyl]sulfonyl]propanoate.

What is the SMILES notation for 1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 3-[[5-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]-3-pyridinyl]sulfonyl]propanoate?

The canonical SMILES for 1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 3-[[5-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]-3-pyridinyl]sulfonyl]propanoate is CC(C)(CO)NS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.CCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(S(=O)(=O)CCC(=O)OC)c1.CCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(S(C)(=O)=O)c1.C[C@@H](CO)NS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1.

What is the InChIKey of 1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 3-[[5-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]-3-pyridinyl]sulfonyl]propanoate?

The InChIKey is KTJYDISCGSSUSF-NTXYNSTHSA-N. The full InChI is InChI=1S/C26H26FN5O5S.C24H24FN5O4S.C23H22FN5O4S.C23H22FN5O3S.C22H20FN5O3S/c1-3-4-23(17-11-20(13-28-12-17)38(35,36)10-9-25(33)37-2)31-26(34)22-14-29-16-24-21(22)15-30-32(24)19-7-5-18(27)6-8-19;1-24(2,15-31)29-35(33,34)19-9-3-16(4-10-19)11-27-23(32)21-12-26-14-22-20(21)13-28-30(22)18-7-5-17(25)6-8-18;1-15(14-30)28-34(32,33)19-8-2-16(3-9-19)10-26-23(31)21-11-25-13-22-20(21)12-27-29(22)18-6-4-17(24)5-7-18;1-3-4-21(15-9-18(11-25-10-15)33(2,31)32)28-23(30)20-12-26-14-22-19(20)13-27-29(22)17-7-5-16(24)6-8-17;1-3-19(14-4-9-21(25-10-14)32(2,30)31)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-7-5-15(23)6-8-16/h5-8,11-16,23H,3-4,9-10H2,1-2H3,(H,31,34);3-10,12-14,29,31H,11,15H2,1-2H3,(H,27,32);2-9,11-13,15,28,30H,10,14H2,1H3,(H,26,31);5-14,21H,3-4H2,1-2H3,(H,28,30);4-13,19H,3H2,1-2H3,(H,27,29)/t;;15-;;/m..0../s1.

What are the key properties of 1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 3-[[5-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]-3-pyridinyl]sulfonyl]propanoate?

1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 3-[[5-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]-3-pyridinyl]sulfonyl]propanoate has a molecular weight of 2441.69 g/mol, XLogP of 15.12, 39 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 3-[[5-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]-3-pyridinyl]sulfonyl]propanoate is sourced from PubChem (CID 159235301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).