N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrol-3-yl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-bromo-4-pyridinyl)-2-cyanoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1R)-1-(2-bromo-4-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C113H93Br3F5N27O14S3 — CID 157405620

About N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrol-3-yl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-bromo-4-pyridinyl)-2-cyanoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1R)-1-(2-bromo-4-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrol-3-yl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-bromo-4-pyridinyl)-2-cyanoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1R)-1-(2-bromo-4-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 157405620) has the molecular formula C113H93Br3F5N27O14S3 and a molecular weight of 2484.06 g/mol. Its IUPAC name is N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrol-3-yl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-bromo-4-pyridinyl)-2-cyanoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1R)-1-(2-bromo-4-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrol-3-yl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-bromo-4-pyridinyl)-2-cyanoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1R)-1-(2-bromo-4-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• PubChem CID: 157405620
• Molecular Formula: C113H93Br3F5N27O14S3
• Molecular Weight: 2484.06 g/mol
• Exact Mass: 2479.40
• IUPAC Name: N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrol-3-yl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-bromo-4-pyridinyl)-2-cyanoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1R)-1-(2-bromo-4-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• SMILES: CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(Br)n(S(=O)(=O)c2ccc(C)cc2)c1.CS(=O)(=O)c1cc([C@H](CO)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(CCC(N)=O)nc(S(C)(=O)=O)c1.N#CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(Br)c1.O=C(N[C@@H](CO)c1ccnc(Br)c1)c1cncc2c1cnn2-c1ccc(F)cc1
• InChI: InChI=1S/C27H23BrFN5O3S.C24H23FN6O4S.C21H14BrFN6O.C21H18FN5O4S.C20H15BrFN5O2/c1-3-24(18-12-26(28)33(16-18)38(36,37)21-10-4-17(2)5-11-21)32-27(35)23-13-30-15-25-22(23)14-31-34(25)20-8-6-19(29)7-9-20;1-14(15-9-17(5-8-22(26)32)30-23(10-15)36(2,34)35)29-24(33)20-11-27-13-21-19(20)12-28-31(21)18-6-3-16(25)4-7-18;22-20-9-13(6-8-26-20)18(5-7-24)28-21(30)17-10-25-12-19-16(17)11-27-29(19)15-3-1-14(23)2-4-15;1-32(30,31)20-8-13(6-7-24-20)18(12-28)26-21(29)17-9-23-11-19-16(17)10-25-27(19)15-4-2-14(22)3-5-15;21-19-7-12(5-6-24-19)17(11-28)26-20(29)16-8-23-10-18-15(16)9-25-27(18)14-3-1-13(22)2-4-14/h4-16,24H,3H2,1-2H3,(H,32,35);3-4,6-7,9-14H,5,8H2,1-2H3,(H2,26,32)(H,29,33);1-4,6,8-12,18H,5H2,(H,28,30);2-11,18,28H,12H2,1H3,(H,26,29);1-10,17,28H,11H2,(H,26,29)/t24-;14-;2*18-;17-/m00000/s1
• InChIKey: BNRIVYPZRYBHGC-IVUPNSARSA-N
• XLogP: 16.92
• TPSA: 565.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 31
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2484.06
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

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-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrol-3-yl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-bromo-4-pyridinyl)-2-cyanoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1R)-1-(2-bromo-4-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The IUPAC name of N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrol-3-yl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-bromo-4-pyridinyl)-2-cyanoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1R)-1-(2-bromo-4-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 157405620) is N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrol-3-yl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-bromo-4-pyridinyl)-2-cyanoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1R)-1-(2-bromo-4-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

What is the SMILES notation for N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrol-3-yl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-bromo-4-pyridinyl)-2-cyanoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1R)-1-(2-bromo-4-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The canonical SMILES for N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrol-3-yl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-bromo-4-pyridinyl)-2-cyanoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1R)-1-(2-bromo-4-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(Br)n(S(=O)(=O)c2ccc(C)cc2)c1.CS(=O)(=O)c1cc([C@H](CO)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(CCC(N)=O)nc(S(C)(=O)=O)c1.N#CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(Br)c1.O=C(N[C@@H](CO)c1ccnc(Br)c1)c1cncc2c1cnn2-c1ccc(F)cc1.

What is the InChIKey of N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrol-3-yl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-bromo-4-pyridinyl)-2-cyanoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1R)-1-(2-bromo-4-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The InChIKey is BNRIVYPZRYBHGC-IVUPNSARSA-N. The full InChI is InChI=1S/C27H23BrFN5O3S.C24H23FN6O4S.C21H14BrFN6O.C21H18FN5O4S.C20H15BrFN5O2/c1-3-24(18-12-26(28)33(16-18)38(36,37)21-10-4-17(2)5-11-21)32-27(35)23-13-30-15-25-22(23)14-31-34(25)20-8-6-19(29)7-9-20;1-14(15-9-17(5-8-22(26)32)30-23(10-15)36(2,34)35)29-24(33)20-11-27-13-21-19(20)12-28-31(21)18-6-3-16(25)4-7-18;22-20-9-13(6-8-26-20)18(5-7-24)28-21(30)17-10-25-12-19-16(17)11-27-29(19)15-3-1-14(23)2-4-15;1-32(30,31)20-8-13(6-7-24-20)18(12-28)26-21(29)17-9-23-11-19-16(17)10-25-27(19)15-4-2-14(22)3-5-15;21-19-7-12(5-6-24-19)17(11-28)26-20(29)16-8-23-10-18-15(16)9-25-27(18)14-3-1-13(22)2-4-14/h4-16,24H,3H2,1-2H3,(H,32,35);3-4,6-7,9-14H,5,8H2,1-2H3,(H2,26,32)(H,29,33);1-4,6,8-12,18H,5H2,(H,28,30);2-11,18,28H,12H2,1H3,(H,26,29);1-10,17,28H,11H2,(H,26,29)/t24-;14-;2*18-;17-/m00000/s1.

What are the key properties of N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrol-3-yl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-bromo-4-pyridinyl)-2-cyanoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1R)-1-(2-bromo-4-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrol-3-yl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-bromo-4-pyridinyl)-2-cyanoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1R)-1-(2-bromo-4-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 2484.06 g/mol, XLogP of 16.92, 31 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[2-(3-amino-3-oxopropyl)-6-methylsulfonyl-4-pyridinyl]ethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrol-3-yl]propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1S)-1-(2-bromo-4-pyridinyl)-2-cyanoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[(1R)-1-(2-bromo-4-pyridinyl)-2-hydroxyethyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 157405620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).