6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-hydroxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4,4,5,5-tetramethyl-2-(1-methylpyrazol-4-yl)-1,3,2-dioxazolidine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide

C65H56BrF9N22O12S3 — CID 164948420

About 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-hydroxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4,4,5,5-tetramethyl-2-(1-methylpyrazol-4-yl)-1,3,2-dioxazolidine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide

6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-hydroxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4,4,5,5-tetramethyl-2-(1-methylpyrazol-4-yl)-1,3,2-dioxazolidine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 164948420) has the molecular formula C65H56BrF9N22O12S3 and a molecular weight of 1684.39 g/mol. Its IUPAC name is 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-hydroxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4,4,5,5-tetramethyl-2-(1-methylpyrazol-4-yl)-1,3,2-dioxazolidine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

• Compound Name: 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-hydroxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4,4,5,5-tetramethyl-2-(1-methylpyrazol-4-yl)-1,3,2-dioxazolidine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
• PubChem CID: 164948420
• Molecular Formula: C65H56BrF9N22O12S3
• Molecular Weight: 1684.39 g/mol
• Exact Mass: 1682.26
• IUPAC Name: 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-hydroxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4,4,5,5-tetramethyl-2-(1-methylpyrazol-4-yl)-1,3,2-dioxazolidine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
• SMILES: COc1cc(-c2cnn(C)c2)cn2ncc(C#N)c12.COc1cc(Br)cn2ncc(C#N)c12.Cn1cc(-c2cc(O)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C#N)cnn3c2)cn1.Cn1cc(N2OC(C)(C)C(C)(C)O2)cn1.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C13H8F3N5O3S.C13H11N5O.C12H9N5O.C10H17N3O2.C9H6BrN3O.C8H5F6NO4S2/c1-20-6-10(5-18-20)8-2-11(24-25(22,23)13(14,15)16)12-9(3-17)4-19-21(12)7-8;1-17-7-11(6-15-17)9-3-12(19-2)13-10(4-14)5-16-18(13)8-9;1-16-6-10(5-14-16)8-2-11(18)12-9(3-13)4-15-17(12)7-8;1-9(2)10(3,4)15-13(14-9)8-6-11-12(5)7-8;1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13;9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14/h2,4-7H,1H3;3,5-8H,1-2H3;2,4-7,18H,1H3;6-7H,1-5H3;2,4-5H,1H3;1-5H
• InChIKey: AESZAVZMWUBRQD-UHFFFAOYSA-N
• XLogP: 10.59
• TPSA: 410.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 11
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1684.39
LogP ≤ 5	10.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-hydroxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4,4,5,5-tetramethyl-2-(1-methylpyrazol-4-yl)-1,3,2-dioxazolidine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?

The IUPAC name of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-hydroxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4,4,5,5-tetramethyl-2-(1-methylpyrazol-4-yl)-1,3,2-dioxazolidine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 164948420) is 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-hydroxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4,4,5,5-tetramethyl-2-(1-methylpyrazol-4-yl)-1,3,2-dioxazolidine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide.

What is the SMILES notation for 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-hydroxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4,4,5,5-tetramethyl-2-(1-methylpyrazol-4-yl)-1,3,2-dioxazolidine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?

The canonical SMILES for 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-hydroxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4,4,5,5-tetramethyl-2-(1-methylpyrazol-4-yl)-1,3,2-dioxazolidine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide is COc1cc(-c2cnn(C)c2)cn2ncc(C#N)c12.COc1cc(Br)cn2ncc(C#N)c12.Cn1cc(-c2cc(O)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C#N)cnn3c2)cn1.Cn1cc(N2OC(C)(C)C(C)(C)O2)cn1.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-hydroxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4,4,5,5-tetramethyl-2-(1-methylpyrazol-4-yl)-1,3,2-dioxazolidine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?

The InChIKey is AESZAVZMWUBRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N5O3S.C13H11N5O.C12H9N5O.C10H17N3O2.C9H6BrN3O.C8H5F6NO4S2/c1-20-6-10(5-18-20)8-2-11(24-25(22,23)13(14,15)16)12-9(3-17)4-19-21(12)7-8;1-17-7-11(6-15-17)9-3-12(19-2)13-10(4-14)5-16-18(13)8-9;1-16-6-10(5-14-16)8-2-11(18)12-9(3-13)4-15-17(12)7-8;1-9(2)10(3,4)15-13(14-9)8-6-11-12(5)7-8;1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13;9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14/h2,4-7H,1H3;3,5-8H,1-2H3;2,4-7,18H,1H3;6-7H,1-5H3;2,4-5H,1H3;1-5H.

What are the key properties of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-hydroxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4,4,5,5-tetramethyl-2-(1-methylpyrazol-4-yl)-1,3,2-dioxazolidine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?

6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-hydroxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4,4,5,5-tetramethyl-2-(1-methylpyrazol-4-yl)-1,3,2-dioxazolidine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 1684.39 g/mol, XLogP of 10.59, 11 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-hydroxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4,4,5,5-tetramethyl-2-(1-methylpyrazol-4-yl)-1,3,2-dioxazolidine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 164948420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).