6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-(6-fluoro-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1,1,1-trifluoro-N-methylsulfonyl-N-phenylmethanesulfonamide

C103H103B2BrF8N30O16S3 — CID 163917466

About 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-(6-fluoro-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1,1,1-trifluoro-N-methylsulfonyl-N-phenylmethanesulfonamide

6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-(6-fluoro-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1,1,1-trifluoro-N-methylsulfonyl-N-phenylmethanesulfonamide (PubChem CID 163917466) has the molecular formula C103H103B2BrF8N30O16S3 and a molecular weight of 2366.86 g/mol. Its IUPAC name is 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-(6-fluoro-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1,1,1-trifluoro-N-methylsulfonyl-N-phenylmethanesulfonamide.

Molecular Properties

• Compound Name: 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-(6-fluoro-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1,1,1-trifluoro-N-methylsulfonyl-N-phenylmethanesulfonamide
• PubChem CID: 163917466
• Molecular Formula: C103H103B2BrF8N30O16S3
• Molecular Weight: 2366.86 g/mol
• Exact Mass: 2364.66
• IUPAC Name: 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-(6-fluoro-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1,1,1-trifluoro-N-methylsulfonyl-N-phenylmethanesulfonamide
• SMILES: CC(C)(C)OC(=O)N1C2CNCC1C2.CC1(C)OB(c2ccc(F)nc2)OC1(C)C.COc1cc(-c2cnn(C)c2)cn2ncc(C#N)c12.COc1cc(Br)cn2ncc(C#N)c12.CS(=O)(=O)N(c1ccccc1)S(=O)(=O)C(F)(F)F.Cn1cc(-c2cc(-c3ccc(F)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(O)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C#N)cnn3c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
• InChI: InChI=1S/C17H11FN6.C13H8F3N5O3S.C13H11N5O.C12H9N5O.C11H15BFNO2.C10H17BN2O2.C10H18N2O2.C9H6BrN3O.C8H8F3NO4S2/c1-23-9-14(8-21-23)12-4-15(11-2-3-16(18)20-6-11)17-13(5-19)7-22-24(17)10-12;1-20-6-10(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;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-10(2,3)14-9(13)12-7-4-8(12)6-11-5-7;1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13;1-17(13,14)12(7-5-3-2-4-6-7)18(15,16)8(9,10)11/h2-4,6-10H,1H3;2,4-7H,1H3;3,5-8H,1-2H3;2,4-7,18H,1H3;5-7H,1-4H3;6-7H,1-5H3;7-8,11H,4-6H2,1-3H3;2,4-5H,1H3;2-6H,1H3
• InChIKey: QXMUCJGTIWIDJS-UHFFFAOYSA-N
• XLogP: 14.06
• TPSA: 552.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 44
• Rotatable Bonds: 14
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2366.86
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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;tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-(6-fluoro-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1,1,1-trifluoro-N-methylsulfonyl-N-phenylmethanesulfonamide?

The IUPAC name of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-(6-fluoro-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1,1,1-trifluoro-N-methylsulfonyl-N-phenylmethanesulfonamide (CID 163917466) is 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-(6-fluoro-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1,1,1-trifluoro-N-methylsulfonyl-N-phenylmethanesulfonamide.

What is the SMILES notation for 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-(6-fluoro-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1,1,1-trifluoro-N-methylsulfonyl-N-phenylmethanesulfonamide?

The canonical SMILES for 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-(6-fluoro-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1,1,1-trifluoro-N-methylsulfonyl-N-phenylmethanesulfonamide is CC(C)(C)OC(=O)N1C2CNCC1C2.CC1(C)OB(c2ccc(F)nc2)OC1(C)C.COc1cc(-c2cnn(C)c2)cn2ncc(C#N)c12.COc1cc(Br)cn2ncc(C#N)c12.CS(=O)(=O)N(c1ccccc1)S(=O)(=O)C(F)(F)F.Cn1cc(-c2cc(-c3ccc(F)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(O)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C#N)cnn3c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.

What is the InChIKey of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-(6-fluoro-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1,1,1-trifluoro-N-methylsulfonyl-N-phenylmethanesulfonamide?

The InChIKey is QXMUCJGTIWIDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN6.C13H8F3N5O3S.C13H11N5O.C12H9N5O.C11H15BFNO2.C10H17BN2O2.C10H18N2O2.C9H6BrN3O.C8H8F3NO4S2/c1-23-9-14(8-21-23)12-4-15(11-2-3-16(18)20-6-11)17-13(5-19)7-22-24(17)10-12;1-20-6-10(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;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-10(2,3)14-9(13)12-7-4-8(12)6-11-5-7;1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13;1-17(13,14)12(7-5-3-2-4-6-7)18(15,16)8(9,10)11/h2-4,6-10H,1H3;2,4-7H,1H3;3,5-8H,1-2H3;2,4-7,18H,1H3;5-7H,1-4H3;6-7H,1-5H3;7-8,11H,4-6H2,1-3H3;2,4-5H,1H3;2-6H,1H3.

What are the key properties of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-(6-fluoro-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1,1,1-trifluoro-N-methylsulfonyl-N-phenylmethanesulfonamide?

6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-(6-fluoro-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1,1,1-trifluoro-N-methylsulfonyl-N-phenylmethanesulfonamide has a molecular weight of 2366.86 g/mol, XLogP of 14.06, 14 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;4-(6-fluoro-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1,1,1-trifluoro-N-methylsulfonyl-N-phenylmethanesulfonamide is sourced from PubChem (CID 163917466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).