6-bromo-4-hydroxypyrazolo[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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C43H38BBrF3N15O7S — CID 167691986

IUPAC6-bromo-4-hydroxypyrazolo[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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCn1cc(-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.N#Cc1cnn2cc(Br)cc(O)c12
InChIInChI=1S/C13H8F3N5O3S.C12H9N5O.C10H17BN2O2.C8H4BrN3O/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;1-16-6-10(5-14-16)8-2-11(18)12-9(3-13)4-15-17(12)7-8;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;9-6-1-7(13)8-5(2-10)3-11-12(8)4-6/h2,4-7H,1H3;2,4-7,18H,1H3;6-7H,1-5H3;1,3-4,13H
InChIKeyXBXNGINGDHUEMJ-UHFFFAOYSA-N
MW1056.65 g/mol
LogP5.54
Rot. Bonds5

About 6-bromo-4-hydroxypyrazolo[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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

6-bromo-4-hydroxypyrazolo[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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 167691986) has the molecular formula C43H38BBrF3N15O7S and a molecular weight of 1056.65 g/mol. Its IUPAC name is 6-bromo-4-hydroxypyrazolo[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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

Compound Name6-bromo-4-hydroxypyrazolo[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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
PubChem CID167691986
Molecular FormulaC43H38BBrF3N15O7S
Molecular Weight1056.65 g/mol
Exact Mass1055.20
IUPAC Name6-bromo-4-hydroxypyrazolo[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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCn1cc(-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.N#Cc1cnn2cc(Br)cc(O)c12
InChIInChI=1S/C13H8F3N5O3S.C12H9N5O.C10H17BN2O2.C8H4BrN3O/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;1-16-6-10(5-14-16)8-2-11(18)12-9(3-13)4-15-17(12)7-8;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;9-6-1-7(13)8-5(2-10)3-11-12(8)4-6/h2,4-7H,1H3;2,4-7,18H,1H3;6-7H,1-5H3;1,3-4,13H
InChIKeyXBXNGINGDHUEMJ-UHFFFAOYSA-N
XLogP5.54
TPSA279.02 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001056.65
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 6-bromo-4-hydroxypyrazolo[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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole with MolForge

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Related Compounds

CID 164948418
CID 164948418
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
4-Bromo-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;methane;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 167568762
(6-Bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 167640554
(6-Bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-bromo-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 167662407

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-hydroxypyrazolo[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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The IUPAC name of 6-bromo-4-hydroxypyrazolo[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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 167691986) is 6-bromo-4-hydroxypyrazolo[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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
What is the SMILES notation for 6-bromo-4-hydroxypyrazolo[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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The canonical SMILES for 6-bromo-4-hydroxypyrazolo[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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is 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.N#Cc1cnn2cc(Br)cc(O)c12.
What is the InChIKey of 6-bromo-4-hydroxypyrazolo[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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The InChIKey is XBXNGINGDHUEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N5O3S.C12H9N5O.C10H17BN2O2.C8H4BrN3O/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;1-16-6-10(5-14-16)8-2-11(18)12-9(3-13)4-15-17(12)7-8;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;9-6-1-7(13)8-5(2-10)3-11-12(8)4-6/h2,4-7H,1H3;2,4-7,18H,1H3;6-7H,1-5H3;1,3-4,13H.
What are the key properties of 6-bromo-4-hydroxypyrazolo[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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
6-bromo-4-hydroxypyrazolo[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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1056.65 g/mol, XLogP of 5.54, 5 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-hydroxypyrazolo[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;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 167691986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).