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

C27H30Br2K2N6O7 — CID 167590665

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

dipotassium;4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate (PubChem CID 167590665) has the molecular formula C27H30Br2K2N6O7 and a molecular weight of 788.58 g/mol. Its IUPAC name is dipotassium;4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate.

Molecular Properties

• Compound Name: dipotassium;4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate
• PubChem CID: 167590665
• Molecular Formula: C27H30Br2K2N6O7
• Molecular Weight: 788.58 g/mol
• Exact Mass: 785.98
• IUPAC Name: dipotassium;4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate
• SMILES: CC1(C)CO1.Cc1c(O)cc(Br)c2c(C#N)cnn12.Cc1c(OCC(C)(C)O)cc(Br)c2c(C#N)cnn12.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C13H14BrN3O2.C9H6BrN3O.C4H8O.CH2O3.2K.H/c1-8-11(19-7-13(2,3)18)4-10(14)12-9(5-15)6-16-17(8)12;1-5-8(14)2-7(10)9-6(3-11)4-12-13(5)9;1-4(2)3-5-4;2-1-4-3;;;/h4,6,18H,7H2,1-3H3;2,4,14H,1H3;3H2,1-2H3;1,3H;;;/q;;;;2*+1;-1/p-1
• InChIKey: ZKBPKBDBIIRPRL-UHFFFAOYSA-M
• XLogP: -2.24
• 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	788.58
LogP ≤ 5	-2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'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-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate?

The IUPAC name of dipotassium;4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate (CID 167590665) is dipotassium;4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate.

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

The canonical SMILES for dipotassium;4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate is CC1(C)CO1.Cc1c(O)cc(Br)c2c(C#N)cnn12.Cc1c(OCC(C)(C)O)cc(Br)c2c(C#N)cnn12.O=CO[O-].[H-].[K+].[K+].

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

The InChIKey is ZKBPKBDBIIRPRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H14BrN3O2.C9H6BrN3O.C4H8O.CH2O3.2K.H/c1-8-11(19-7-13(2,3)18)4-10(14)12-9(5-15)6-16-17(8)12;1-5-8(14)2-7(10)9-6(3-11)4-12-13(5)9;1-4(2)3-5-4;2-1-4-3;;;/h4,6,18H,7H2,1-3H3;2,4,14H,1H3;3H2,1-2H3;1,3H;;;/q;;;;2*+1;-1/p-1.

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

dipotassium;4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate has a molecular weight of 788.58 g/mol, XLogP of -2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;4-bromo-6-(2-hydroxy-2-methylpropoxy)-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-hydroxy-7-methylpyrazolo[1,5-a]pyridine-3-carbonitrile;2,2-dimethyloxirane;hydride;oxido formate is sourced from PubChem (CID 167590665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).