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

C108H90Br2F5N25O11S3 — CID 161022269

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

N-[(1R)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 161022269) has the molecular formula C108H90Br2F5N25O11S3 and a molecular weight of 2265.07 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• PubChem CID: 161022269
• Molecular Formula: C108H90Br2F5N25O11S3
• Molecular Weight: 2265.07 g/mol
• Exact Mass: 2261.47
• IUPAC Name: N-[(1R)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• SMILES: C=CC[C@@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(Br)c1.C=CC[C@@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.CC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccc(Br)nc1.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cncc(S(C)(=O)=O)c1
• InChI: InChI=1S/C23H20FN5O3S.C22H17BrFN5O.C22H20FN5O3S.C21H18FN5O3S.C20H15BrFN5O/c1-3-4-20(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;1-2-3-19(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;1-3-19(14-8-9-25-21(10-14)32(2,30)31)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16;1-13(14-7-17(9-23-8-14)31(2,29)30)26-21(28)19-10-24-12-20-18(19)11-25-27(20)16-5-3-15(22)4-6-16;1-12(13-2-7-19(21)24-8-13)26-20(28)17-9-23-11-18-16(17)10-25-27(18)15-5-3-14(22)4-6-15/h3,5-14,20H,1,4H2,2H3,(H,28,30);2,4-13,19H,1,3H2,(H,28,30);4-13,19H,3H2,1-2H3,(H,27,29);3-13H,1-2H3,(H,26,28);2-12H,1H3,(H,26,28)/t20-;19-;;13-;/m11.0./s1
• InChIKey: TYNLGJCCCKHJJR-OYTPDERHSA-N
• XLogP: 18.47
• TPSA: 465.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2265.07
LogP ≤ 5	18.47
H-Bond Donors ≤ 5	5
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-[(1R)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The IUPAC name of N-[(1R)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 161022269) is N-[(1R)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

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

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

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

The InChIKey is TYNLGJCCCKHJJR-OYTPDERHSA-N. The full InChI is InChI=1S/C23H20FN5O3S.C22H17BrFN5O.C22H20FN5O3S.C21H18FN5O3S.C20H15BrFN5O/c1-3-4-20(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;1-2-3-19(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;1-3-19(14-8-9-25-21(10-14)32(2,30)31)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16;1-13(14-7-17(9-23-8-14)31(2,29)30)26-21(28)19-10-24-12-20-18(19)11-25-27(20)16-5-3-15(22)4-6-16;1-12(13-2-7-19(21)24-8-13)26-20(28)17-9-23-11-18-16(17)10-25-27(18)15-5-3-14(22)4-6-15/h3,5-14,20H,1,4H2,2H3,(H,28,30);2,4-13,19H,1,3H2,(H,28,30);4-13,19H,3H2,1-2H3,(H,27,29);3-13H,1-2H3,(H,26,28);2-12H,1H3,(H,26,28)/t20-;19-;;13-;/m11.0./s1.

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

N-[(1R)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 2265.07 g/mol, XLogP of 18.47, 28 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(2-bromo-4-pyridinyl)but-3-enyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[1-(6-bromo-3-pyridinyl)ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-(2-methylsulfonyl-4-pyridinyl)but-3-enyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 161022269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).