6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(3,6-dihydro-2H-pyran-4-yl)-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-(3,6-dihydro-2H-pyran-4-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile)

C108H96BrF3N28O13S — CID 164959670

About 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(3,6-dihydro-2H-pyran-4-yl)-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-(3,6-dihydro-2H-pyran-4-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile)

6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(3,6-dihydro-2H-pyran-4-yl)-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-(3,6-dihydro-2H-pyran-4-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile) (PubChem CID 164959670) has the molecular formula C108H96BrF3N28O13S and a molecular weight of 2163.10 g/mol. Its IUPAC name is 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(3,6-dihydro-2H-pyran-4-yl)-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-(3,6-dihydro-2H-pyran-4-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile).

Molecular Properties

• Compound Name: 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(3,6-dihydro-2H-pyran-4-yl)-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-(3,6-dihydro-2H-pyran-4-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile)
• PubChem CID: 164959670
• Molecular Formula: C108H96BrF3N28O13S
• Molecular Weight: 2163.10 g/mol
• Exact Mass: 2160.66
• IUPAC Name: 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(3,6-dihydro-2H-pyran-4-yl)-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-(3,6-dihydro-2H-pyran-4-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile)
• SMILES: COc1cc(Br)cn2ncc(C#N)c12.COc1cc(C2=CCOCC2)cn2ncc(C#N)c12.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(C5=CCOCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(C5=CCOCC5)cn5ncc(C#N)c45)cn2)C3)cn1.N#Cc1cnn2cc(C3=CCOCC3)cc(O)c12.N#Cc1cnn2cc(C3=CCOCC3)cc(OS(=O)(=O)C(F)(F)F)c12
• InChI: InChI=1S/2C29H28N8O2.C14H10F3N3O4S.C14H13N3O2.C13H11N3O2.C9H6BrN3O/c2*1-38-28-3-2-19(11-33-28)15-36-23-9-24(36)18-35(17-23)27-14-31-26(13-32-27)25-8-21(20-4-6-39-7-5-20)16-37-29(25)22(10-30)12-34-37;15-14(16,17)25(21,22)24-12-5-10(9-1-3-23-4-2-9)8-20-13(12)11(6-18)7-19-20;1-18-13-6-11(10-2-4-19-5-3-10)9-17-14(13)12(7-15)8-16-17;14-6-11-7-15-16-8-10(5-12(17)13(11)16)9-1-3-18-4-2-9;1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13/h2*2-4,8,11-14,16,23-24H,5-7,9,15,17-18H2,1H3;1,5,7-8H,2-4H2;2,6,8-9H,3-5H2,1H3;1,5,7-8,17H,2-4H2;2,4-5H,1H3
• InChIKey: BQXARARIWVOIIG-UHFFFAOYSA-N
• XLogP: 14.62
• TPSA: 483.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 41
• Rotatable Bonds: 19
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2163.10
LogP ≤ 5	14.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	41

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-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(3,6-dihydro-2H-pyran-4-yl)-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-(3,6-dihydro-2H-pyran-4-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile)?

The IUPAC name of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(3,6-dihydro-2H-pyran-4-yl)-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-(3,6-dihydro-2H-pyran-4-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile) (CID 164959670) is 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(3,6-dihydro-2H-pyran-4-yl)-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-(3,6-dihydro-2H-pyran-4-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile).

What is the SMILES notation for 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(3,6-dihydro-2H-pyran-4-yl)-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-(3,6-dihydro-2H-pyran-4-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile)?

The canonical SMILES for 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(3,6-dihydro-2H-pyran-4-yl)-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-(3,6-dihydro-2H-pyran-4-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile) is COc1cc(Br)cn2ncc(C#N)c12.COc1cc(C2=CCOCC2)cn2ncc(C#N)c12.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(C5=CCOCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(C5=CCOCC5)cn5ncc(C#N)c45)cn2)C3)cn1.N#Cc1cnn2cc(C3=CCOCC3)cc(O)c12.N#Cc1cnn2cc(C3=CCOCC3)cc(OS(=O)(=O)C(F)(F)F)c12.

What is the InChIKey of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(3,6-dihydro-2H-pyran-4-yl)-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-(3,6-dihydro-2H-pyran-4-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile)?

The InChIKey is BQXARARIWVOIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H28N8O2.C14H10F3N3O4S.C14H13N3O2.C13H11N3O2.C9H6BrN3O/c2*1-38-28-3-2-19(11-33-28)15-36-23-9-24(36)18-35(17-23)27-14-31-26(13-32-27)25-8-21(20-4-6-39-7-5-20)16-37-29(25)22(10-30)12-34-37;15-14(16,17)25(21,22)24-12-5-10(9-1-3-23-4-2-9)8-20-13(12)11(6-18)7-19-20;1-18-13-6-11(10-2-4-19-5-3-10)9-17-14(13)12(7-15)8-16-17;14-6-11-7-15-16-8-10(5-12(17)13(11)16)9-1-3-18-4-2-9;1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13/h2*2-4,8,11-14,16,23-24H,5-7,9,15,17-18H2,1H3;1,5,7-8H,2-4H2;2,6,8-9H,3-5H2,1H3;1,5,7-8,17H,2-4H2;2,4-5H,1H3.

What are the key properties of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(3,6-dihydro-2H-pyran-4-yl)-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-(3,6-dihydro-2H-pyran-4-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile)?

6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;[3-cyano-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(3,6-dihydro-2H-pyran-4-yl)-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-(3,6-dihydro-2H-pyran-4-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile) has a molecular weight of 2163.10 g/mol, XLogP of 14.62, 19 rotatable bonds, 1 hydrogen bond donors, and 41 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-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(3,6-dihydro-2H-pyran-4-yl)-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-(3,6-dihydro-2H-pyran-4-yl)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-(3,6-dihydro-2H-pyran-4-yl)-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile) is sourced from PubChem (CID 164959670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).