N-[(1S,3S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1-oxidopyridin-1-ium-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-thiophen-3-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C107H93F5N24O17S5 — CID 159483711

About N-[(1S,3S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1-oxidopyridin-1-ium-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-thiophen-3-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide

N-[(1S,3S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1-oxidopyridin-1-ium-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-thiophen-3-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 159483711) has the molecular formula C107H93F5N24O17S5 and a molecular weight of 2242.40 g/mol. Its IUPAC name is N-[(1S,3S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1-oxidopyridin-1-ium-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-thiophen-3-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,3S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1-oxidopyridin-1-ium-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-thiophen-3-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• PubChem CID: 159483711
• Molecular Formula: C107H93F5N24O17S5
• Molecular Weight: 2242.40 g/mol
• Exact Mass: 2240.57
• IUPAC Name: N-[(1S,3S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1-oxidopyridin-1-ium-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-thiophen-3-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• SMILES: C=CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.CC[C@@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccsc1.COc1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(S(C)(=O)=O)n1.CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc[n+]1[O-].CS(=O)(=O)c1cc([C@H](C[C@H](O)CO)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1
• InChI: InChI=1S/C23H22FN5O5S.C23H20FN5O3S.C21H18FN5O4S.C20H16FN5O4S.C20H17FN4OS/c1-35(33,34)22-8-14(6-7-26-22)20(9-17(31)13-30)28-23(32)19-10-25-12-21-18(19)11-27-29(21)16-4-2-15(24)3-5-16;1-3-4-20(15-9-10-26-22(11-15)33(2,31)32)28-23(30)19-12-25-14-21-18(19)13-27-29(21)17-7-5-16(24)6-8-17;1-31-19-7-13(8-20(26-19)32(2,29)30)9-24-21(28)17-10-23-12-18-16(17)11-25-27(18)15-5-3-14(22)4-6-15;1-31(29,30)19-8-13(6-7-25(19)28)9-23-20(27)17-10-22-12-18-16(17)11-24-26(18)15-4-2-14(21)3-5-15;1-2-18(13-7-8-27-12-13)24-20(26)17-9-22-11-19-16(17)10-23-25(19)15-5-3-14(21)4-6-15/h2-8,10-12,17,20,30-31H,9,13H2,1H3,(H,28,32);3,5-14,20H,1,4H2,2H3,(H,28,30);3-8,10-12H,9H2,1-2H3,(H,24,28);2-8,10-12H,9H2,1H3,(H,23,27);3-12,18H,2H2,1H3,(H,24,26)/t17-,20-;20-;;;18-/m00..1/s1
• InChIKey: LXIALPOYFDYBCJ-LLKSFNKYSA-N
• XLogP: 13.30
• TPSA: 550.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 31
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2242.40
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1-oxidopyridin-1-ium-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-thiophen-3-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The IUPAC name of N-[(1S,3S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1-oxidopyridin-1-ium-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-thiophen-3-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 159483711) is N-[(1S,3S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1-oxidopyridin-1-ium-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-thiophen-3-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

What is the SMILES notation for N-[(1S,3S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1-oxidopyridin-1-ium-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-thiophen-3-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The canonical SMILES for N-[(1S,3S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1-oxidopyridin-1-ium-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-thiophen-3-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide is C=CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.CC[C@@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccsc1.COc1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(S(C)(=O)=O)n1.CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc[n+]1[O-].CS(=O)(=O)c1cc([C@H](C[C@H](O)CO)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.

What is the InChIKey of N-[(1S,3S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1-oxidopyridin-1-ium-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-thiophen-3-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The InChIKey is LXIALPOYFDYBCJ-LLKSFNKYSA-N. The full InChI is InChI=1S/C23H22FN5O5S.C23H20FN5O3S.C21H18FN5O4S.C20H16FN5O4S.C20H17FN4OS/c1-35(33,34)22-8-14(6-7-26-22)20(9-17(31)13-30)28-23(32)19-10-25-12-21-18(19)11-27-29(21)16-4-2-15(24)3-5-16;1-3-4-20(15-9-10-26-22(11-15)33(2,31)32)28-23(30)19-12-25-14-21-18(19)13-27-29(21)17-7-5-16(24)6-8-17;1-31-19-7-13(8-20(26-19)32(2,29)30)9-24-21(28)17-10-23-12-18-16(17)11-25-27(18)15-5-3-14(22)4-6-15;1-31(29,30)19-8-13(6-7-25(19)28)9-23-20(27)17-10-22-12-18-16(17)11-24-26(18)15-4-2-14(21)3-5-15;1-2-18(13-7-8-27-12-13)24-20(26)17-9-22-11-19-16(17)10-23-25(19)15-5-3-14(21)4-6-15/h2-8,10-12,17,20,30-31H,9,13H2,1H3,(H,28,32);3,5-14,20H,1,4H2,2H3,(H,28,30);3-8,10-12H,9H2,1-2H3,(H,24,28);2-8,10-12H,9H2,1H3,(H,23,27);3-12,18H,2H2,1H3,(H,24,26)/t17-,20-;20-;;;18-/m00..1/s1.

What are the key properties of N-[(1S,3S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1-oxidopyridin-1-ium-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-thiophen-3-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

N-[(1S,3S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1-oxidopyridin-1-ium-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-thiophen-3-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 2242.40 g/mol, XLogP of 13.30, 31 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,3S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methoxy-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1-oxidopyridin-1-ium-4-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-thiophen-3-ylpropyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 159483711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).