N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoic acid;methyl 3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoate

C111H97BrF5N25O17S4 — CID 158217405

About N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoic acid;methyl 3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoate

N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoic acid;methyl 3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoate (PubChem CID 158217405) has the molecular formula C111H97BrF5N25O17S4 and a molecular weight of 2356.32 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoic acid;methyl 3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoate.

Molecular Properties

• Compound Name: N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoic acid;methyl 3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoate
• PubChem CID: 158217405
• Molecular Formula: C111H97BrF5N25O17S4
• Molecular Weight: 2356.32 g/mol
• Exact Mass: 2353.55
• IUPAC Name: N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoic acid;methyl 3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoate
• SMILES: CCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.COC(=O)CCS(=O)(=O)c1cc([C@H](C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(Br)c1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(=O)(=O)CCC(=O)O)c1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1
• InChI: InChI=1S/C24H22FN5O5S.C23H20FN5O5S.C23H22FN5O3S.C21H18FN5O3S.C20H15BrFN5O/c1-15(16-7-9-27-22(11-16)36(33,34)10-8-23(31)35-2)29-24(32)20-12-26-14-21-19(20)13-28-30(21)18-5-3-17(25)4-6-18;1-14(15-6-8-26-21(10-15)35(33,34)9-7-22(30)31)28-23(32)19-11-25-13-20-18(19)12-27-29(20)17-4-2-16(24)3-5-17;1-3-4-20(15-5-10-22(26-11-15)33(2,31)32)28-23(30)19-12-25-14-21-18(19)13-27-29(21)17-8-6-16(24)7-9-17;1-13(14-7-8-24-20(9-14)31(2,29)30)26-21(28)18-10-23-12-19-17(18)11-25-27(19)16-5-3-15(22)4-6-16;1-12(13-6-7-24-19(21)8-13)26-20(28)17-9-23-11-18-16(17)10-25-27(18)15-4-2-14(22)3-5-15/h3-7,9,11-15H,8,10H2,1-2H3,(H,29,32);2-6,8,10-14H,7,9H2,1H3,(H,28,32)(H,30,31);5-14,20H,3-4H2,1-2H3,(H,28,30);3-13H,1-2H3,(H,26,28);2-12H,1H3,(H,26,28)/t15-;14-;20-;13-;12-/m00000/s1
• InChIKey: GCVDRKOHHORDEW-HGMRWRGCSA-N
• XLogP: 16.16
• TPSA: 563.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2356.32
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoic acid;methyl 3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoate?

The IUPAC name of N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoic acid;methyl 3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoate (CID 158217405) is N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoic acid;methyl 3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoate.

What is the SMILES notation for N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoic acid;methyl 3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoate?

The canonical SMILES for N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoic acid;methyl 3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoate is CCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.COC(=O)CCS(=O)(=O)c1cc([C@H](C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(Br)c1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(=O)(=O)CCC(=O)O)c1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.

What is the InChIKey of N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoic acid;methyl 3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoate?

The InChIKey is GCVDRKOHHORDEW-HGMRWRGCSA-N. The full InChI is InChI=1S/C24H22FN5O5S.C23H20FN5O5S.C23H22FN5O3S.C21H18FN5O3S.C20H15BrFN5O/c1-15(16-7-9-27-22(11-16)36(33,34)10-8-23(31)35-2)29-24(32)20-12-26-14-21-19(20)13-28-30(21)18-5-3-17(25)4-6-18;1-14(15-6-8-26-21(10-15)35(33,34)9-7-22(30)31)28-23(32)19-11-25-13-20-18(19)12-27-29(20)17-4-2-16(24)3-5-17;1-3-4-20(15-5-10-22(26-11-15)33(2,31)32)28-23(30)19-12-25-14-21-18(19)13-27-29(21)17-8-6-16(24)7-9-17;1-13(14-7-8-24-20(9-14)31(2,29)30)26-21(28)18-10-23-12-19-17(18)11-25-27(19)16-5-3-15(22)4-6-16;1-12(13-6-7-24-19(21)8-13)26-20(28)17-9-23-11-18-16(17)10-25-27(18)15-4-2-14(22)3-5-15/h3-7,9,11-15H,8,10H2,1-2H3,(H,29,32);2-6,8,10-14H,7,9H2,1H3,(H,28,32)(H,30,31);5-14,20H,3-4H2,1-2H3,(H,28,30);3-13H,1-2H3,(H,26,28);2-12H,1H3,(H,26,28)/t15-;14-;20-;13-;12-/m00000/s1.

What are the key properties of N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoic acid;methyl 3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoate?

N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoic acid;methyl 3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoate has a molecular weight of 2356.32 g/mol, XLogP of 16.16, 32 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoic acid;methyl 3-[[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]ethyl]-2-pyridinyl]sulfonyl]propanoate is sourced from PubChem (CID 158217405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).