dipotassium;4-bromo-7-fluoro-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-7-fluoro-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate

C25H24Br2F2K2N6O7 — CID 167611390

About dipotassium;4-bromo-7-fluoro-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-7-fluoro-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate

dipotassium;4-bromo-7-fluoro-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-7-fluoro-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate (PubChem CID 167611390) has the molecular formula C25H24Br2F2K2N6O7 and a molecular weight of 796.50 g/mol. Its IUPAC name is dipotassium;4-bromo-7-fluoro-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-7-fluoro-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate.

Molecular Properties

• Compound Name: dipotassium;4-bromo-7-fluoro-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-7-fluoro-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate
• PubChem CID: 167611390
• Molecular Formula: C25H24Br2F2K2N6O7
• Molecular Weight: 796.50 g/mol
• Exact Mass: 793.93
• IUPAC Name: dipotassium;4-bromo-7-fluoro-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-7-fluoro-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate
• SMILES: CC(C)(O)COc1cc(Br)c2c(C#N)cnn2c1F.CC1(C)CO1.N#Cc1cnn2c(F)c(O)cc(Br)c12.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C12H11BrFN3O2.C8H3BrFN3O.C4H8O.CH2O3.2K.H/c1-12(2,18)6-19-9-3-8(13)10-7(4-15)5-16-17(10)11(9)14;9-5-1-6(14)8(10)13-7(5)4(2-11)3-12-13;1-4(2)3-5-4;2-1-4-3;;;/h3,5,18H,6H2,1-2H3;1,3,14H;3H2,1-2H3;1,3H;;;/q;;;;2*+1;-1/p-1
• InChIKey: FONPJCGIERIABS-UHFFFAOYSA-M
• XLogP: -2.58
• TPSA: 193.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.50
LogP ≤ 5	-2.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-bromo-7-fluoro-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-7-fluoro-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate?

The IUPAC name of dipotassium;4-bromo-7-fluoro-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-7-fluoro-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate (CID 167611390) is dipotassium;4-bromo-7-fluoro-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-7-fluoro-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate.

What is the SMILES notation for dipotassium;4-bromo-7-fluoro-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-7-fluoro-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate?

The canonical SMILES for dipotassium;4-bromo-7-fluoro-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-7-fluoro-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate is CC(C)(O)COc1cc(Br)c2c(C#N)cnn2c1F.CC1(C)CO1.N#Cc1cnn2c(F)c(O)cc(Br)c12.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;4-bromo-7-fluoro-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-7-fluoro-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate?

The InChIKey is FONPJCGIERIABS-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11BrFN3O2.C8H3BrFN3O.C4H8O.CH2O3.2K.H/c1-12(2,18)6-19-9-3-8(13)10-7(4-15)5-16-17(10)11(9)14;9-5-1-6(14)8(10)13-7(5)4(2-11)3-12-13;1-4(2)3-5-4;2-1-4-3;;;/h3,5,18H,6H2,1-2H3;1,3,14H;3H2,1-2H3;1,3H;;;/q;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;4-bromo-7-fluoro-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-7-fluoro-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate?

dipotassium;4-bromo-7-fluoro-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-7-fluoro-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate has a molecular weight of 796.50 g/mol, XLogP of -2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;4-bromo-7-fluoro-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-7-fluoro-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate is sourced from PubChem (CID 167611390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).