N-[(2-bromo-6-methyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methyl-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1,3-thiazol-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate

C103H85BrF5N27O14S3 — CID 158657473

About N-[(2-bromo-6-methyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methyl-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1,3-thiazol-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate

N-[(2-bromo-6-methyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methyl-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1,3-thiazol-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 158657473) has the molecular formula C103H85BrF5N27O14S3 and a molecular weight of 2196.08 g/mol. Its IUPAC name is N-[(2-bromo-6-methyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methyl-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1,3-thiazol-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

• Compound Name: N-[(2-bromo-6-methyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methyl-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1,3-thiazol-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate
• PubChem CID: 158657473
• Molecular Formula: C103H85BrF5N27O14S3
• Molecular Weight: 2196.08 g/mol
• Exact Mass: 2193.50
• IUPAC Name: N-[(2-bromo-6-methyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methyl-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1,3-thiazol-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate
• SMILES: CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NCC#N)co1.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)OC)c(C)o1.CS(=O)(=O)c1ncc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)s1.Cc1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(Br)n1.Cc1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(S(C)(=O)=O)n1
• InChI: InChI=1S/C22H18FN7O3.C22H20FN5O4.C21H18FN5O3S.C20H15BrFN5O.C18H14FN5O3S2/c1-2-17(22-29-18(12-33-22)21(32)26-8-7-24)28-20(31)16-9-25-11-19-15(16)10-27-30(19)14-5-3-13(23)4-6-14;1-4-17(21-27-19(12(2)32-21)22(30)31-3)26-20(29)16-9-24-11-18-15(16)10-25-28(18)14-7-5-13(23)6-8-14;1-13-7-14(8-20(26-13)31(2,29)30)9-24-21(28)18-10-23-12-19-17(18)11-25-27(19)16-5-3-15(22)4-6-16;1-12-6-13(7-19(21)26-12)8-24-20(28)17-9-23-11-18-16(17)10-25-27(18)15-4-2-14(22)3-5-15;1-29(26,27)18-22-7-13(28-18)6-21-17(25)15-8-20-10-16-14(15)9-23-24(16)12-4-2-11(19)3-5-12/h3-6,9-12,17H,2,8H2,1H3,(H,26,32)(H,28,31);5-11,17H,4H2,1-3H3,(H,26,29);3-8,10-12H,9H2,1-2H3,(H,24,28);2-7,9-11H,8H2,1H3,(H,24,28);2-5,7-10H,6H2,1H3,(H,21,25)
• InChIKey: ICHZKWRCEZZLHP-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 537.25 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2196.08
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-methyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methyl-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1,3-thiazol-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate?

The IUPAC name of N-[(2-bromo-6-methyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methyl-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1,3-thiazol-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate (CID 158657473) is N-[(2-bromo-6-methyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methyl-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1,3-thiazol-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate.

What is the SMILES notation for N-[(2-bromo-6-methyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methyl-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1,3-thiazol-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate?

The canonical SMILES for N-[(2-bromo-6-methyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methyl-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1,3-thiazol-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate is CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)NCC#N)co1.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)OC)c(C)o1.CS(=O)(=O)c1ncc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)s1.Cc1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(Br)n1.Cc1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(S(C)(=O)=O)n1.

What is the InChIKey of N-[(2-bromo-6-methyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methyl-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1,3-thiazol-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate?

The InChIKey is ICHZKWRCEZZLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O3.C22H20FN5O4.C21H18FN5O3S.C20H15BrFN5O.C18H14FN5O3S2/c1-2-17(22-29-18(12-33-22)21(32)26-8-7-24)28-20(31)16-9-25-11-19-15(16)10-27-30(19)14-5-3-13(23)4-6-14;1-4-17(21-27-19(12(2)32-21)22(30)31-3)26-20(29)16-9-24-11-18-15(16)10-25-28(18)14-7-5-13(23)6-8-14;1-13-7-14(8-20(26-13)31(2,29)30)9-24-21(28)18-10-23-12-19-17(18)11-25-27(19)16-5-3-15(22)4-6-16;1-12-6-13(7-19(21)26-12)8-24-20(28)17-9-23-11-18-16(17)10-25-27(18)15-4-2-14(22)3-5-15;1-29(26,27)18-22-7-13(28-18)6-21-17(25)15-8-20-10-16-14(15)9-23-24(16)12-4-2-11(19)3-5-12/h3-6,9-12,17H,2,8H2,1H3,(H,26,32)(H,28,31);5-11,17H,4H2,1-3H3,(H,26,29);3-8,10-12H,9H2,1-2H3,(H,24,28);2-7,9-11H,8H2,1H3,(H,24,28);2-5,7-10H,6H2,1H3,(H,21,25).

What are the key properties of N-[(2-bromo-6-methyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methyl-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1,3-thiazol-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate?

N-[(2-bromo-6-methyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methyl-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1,3-thiazol-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 2196.08 g/mol, XLogP of 15.11, 27 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-bromo-6-methyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-(cyanomethyl)-2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methyl-6-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-1,3-thiazol-5-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 158657473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).