N-[(1S)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(5-ethylsulfonyl-3-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-sulfamoyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C106H90BrF5N26O11S3 — CID 158136992

About N-[(1S)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(5-ethylsulfonyl-3-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-sulfamoyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

N-[(1S)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(5-ethylsulfonyl-3-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-sulfamoyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 158136992) has the molecular formula C106H90BrF5N26O11S3 and a molecular weight of 2175.15 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(5-ethylsulfonyl-3-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-sulfamoyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(5-ethylsulfonyl-3-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-sulfamoyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• PubChem CID: 158136992
• Molecular Formula: C106H90BrF5N26O11S3
• Molecular Weight: 2175.15 g/mol
• Exact Mass: 2172.55
• IUPAC Name: N-[(1S)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(5-ethylsulfonyl-3-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-sulfamoyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• SMILES: C=CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(Br)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(S(=O)(=O)CC)c1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cccnc1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(S(N)(=O)=O)c1
• InChI: InChI=1S/C23H22FN5O3S.C22H17BrFN5O.C21H18FN5O3S.C20H17FN6O3S.C20H16FN5O/c1-3-21(15-9-18(11-25-10-15)33(31,32)4-2)28-23(30)20-12-26-14-22-19(20)13-27-29(22)17-7-5-16(24)6-8-17;1-2-3-19(14-8-9-26-21(23)10-14)28-22(30)18-11-25-13-20-17(18)12-27-29(20)16-6-4-15(24)5-7-16;1-13(14-3-8-20(24-9-14)31(2,29)30)26-21(28)18-10-23-12-19-17(18)11-25-27(19)16-6-4-15(22)5-7-16;1-12(13-6-16(8-23-7-13)31(22,29)30)26-20(28)18-9-24-11-19-17(18)10-25-27(19)15-4-2-14(21)3-5-15;1-13(14-3-2-8-22-9-14)25-20(27)18-10-23-12-19-17(18)11-24-26(19)16-6-4-15(21)5-7-16/h5-14,21H,3-4H2,1-2H3,(H,28,30);2,4-13,19H,1,3H2,(H,28,30);3-13H,1-2H3,(H,26,28);2-12H,1H3,(H,26,28)(H2,22,29,30);2-13H,1H3,(H,25,27)/t21-;19-;13-;12-;13-/m00000/s1
• InChIKey: FTLQWKHBGHMQLD-DVRDCMPOSA-N
• XLogP: 16.78
• TPSA: 491.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2175.15
LogP ≤ 5	16.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(5-ethylsulfonyl-3-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-sulfamoyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The IUPAC name of N-[(1S)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(5-ethylsulfonyl-3-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-sulfamoyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 158136992) is N-[(1S)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(5-ethylsulfonyl-3-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-sulfamoyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

What is the SMILES notation for N-[(1S)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(5-ethylsulfonyl-3-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-sulfamoyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The canonical SMILES for N-[(1S)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(5-ethylsulfonyl-3-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-sulfamoyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is C=CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(Br)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(S(=O)(=O)CC)c1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cccnc1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(S(N)(=O)=O)c1.

What is the InChIKey of N-[(1S)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(5-ethylsulfonyl-3-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-sulfamoyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The InChIKey is FTLQWKHBGHMQLD-DVRDCMPOSA-N. The full InChI is InChI=1S/C23H22FN5O3S.C22H17BrFN5O.C21H18FN5O3S.C20H17FN6O3S.C20H16FN5O/c1-3-21(15-9-18(11-25-10-15)33(31,32)4-2)28-23(30)20-12-26-14-22-19(20)13-27-29(22)17-7-5-16(24)6-8-17;1-2-3-19(14-8-9-26-21(23)10-14)28-22(30)18-11-25-13-20-17(18)12-27-29(20)16-6-4-15(24)5-7-16;1-13(14-3-8-20(24-9-14)31(2,29)30)26-21(28)18-10-23-12-19-17(18)11-25-27(19)16-6-4-15(22)5-7-16;1-12(13-6-16(8-23-7-13)31(22,29)30)26-20(28)18-9-24-11-19-17(18)10-25-27(19)15-4-2-14(21)3-5-15;1-13(14-3-2-8-22-9-14)25-20(27)18-10-23-12-19-17(18)11-24-26(19)16-6-4-15(21)5-7-16/h5-14,21H,3-4H2,1-2H3,(H,28,30);2,4-13,19H,1,3H2,(H,28,30);3-13H,1-2H3,(H,26,28);2-12H,1H3,(H,26,28)(H2,22,29,30);2-13H,1H3,(H,25,27)/t21-;19-;13-;12-;13-/m00000/s1.

What are the key properties of N-[(1S)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(5-ethylsulfonyl-3-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-sulfamoyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

N-[(1S)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(5-ethylsulfonyl-3-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-sulfamoyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 2175.15 g/mol, XLogP of 16.78, 27 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(5-ethylsulfonyl-3-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-sulfamoyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 158136992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).