dipotassium;4-bromo-6-hydroxy-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2-dimethyloxirane;hydride;oxido formate

C29H38Br2K2N6O9 — CID 167688862

IUPACdipotassium;4-bromo-6-hydroxy-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2-dimethyloxirane;hydride;oxido formate
SMILESCC1(C)CO1.CN(C)C(=O)c1cnn2cc(O)cc(Br)c12.CN(C)C(=O)c1cnn2cc(OCC(C)(C)O)cc(Br)c12.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C14H18BrN3O3.C10H10BrN3O2.C4H8O.CH2O3.2K.H/c1-14(2,20)8-21-9-5-11(15)12-10(13(19)17(3)4)6-16-18(12)7-9;1-13(2)10(16)7-4-12-14-5-6(15)3-8(11)9(7)14;1-4(2)3-5-4;2-1-4-3;;;/h5-7,20H,8H2,1-4H3;3-5,15H,1-2H3;3H2,1-2H3;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyJHVPHLVGCIUOCG-UHFFFAOYSA-M
MW852.66 g/mol
LogP-3.20
Rot. Bonds6

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

dipotassium;4-bromo-6-hydroxy-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2-dimethyloxirane;hydride;oxido formate (PubChem CID 167688862) has the molecular formula C29H38Br2K2N6O9 and a molecular weight of 852.66 g/mol. Its IUPAC name is dipotassium;4-bromo-6-hydroxy-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2-dimethyloxirane;hydride;oxido formate.

Molecular Properties

Compound Namedipotassium;4-bromo-6-hydroxy-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2-dimethyloxirane;hydride;oxido formate
PubChem CID167688862
Molecular FormulaC29H38Br2K2N6O9
Molecular Weight852.66 g/mol
Exact Mass850.03
IUPAC Namedipotassium;4-bromo-6-hydroxy-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2-dimethyloxirane;hydride;oxido formate
SMILESCC1(C)CO1.CN(C)C(=O)c1cnn2cc(O)cc(Br)c12.CN(C)C(=O)c1cnn2cc(OCC(C)(C)O)cc(Br)c12.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C14H18BrN3O3.C10H10BrN3O2.C4H8O.CH2O3.2K.H/c1-14(2,20)8-21-9-5-11(15)12-10(13(19)17(3)4)6-16-18(12)7-9;1-13(2)10(16)7-4-12-14-5-6(15)3-8(11)9(7)14;1-4(2)3-5-4;2-1-4-3;;;/h5-7,20H,8H2,1-4H3;3-5,15H,1-2H3;3H2,1-2H3;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyJHVPHLVGCIUOCG-UHFFFAOYSA-M
XLogP-3.20
TPSA186.80 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.66
LogP ≤ 5-3.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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'}

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Frequently Asked Questions

What is the IUPAC name of dipotassium;4-bromo-6-hydroxy-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2-dimethyloxirane;hydride;oxido formate?
The IUPAC name of dipotassium;4-bromo-6-hydroxy-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2-dimethyloxirane;hydride;oxido formate (CID 167688862) is dipotassium;4-bromo-6-hydroxy-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2-dimethyloxirane;hydride;oxido formate.
What is the SMILES notation for dipotassium;4-bromo-6-hydroxy-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2-dimethyloxirane;hydride;oxido formate?
The canonical SMILES for dipotassium;4-bromo-6-hydroxy-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2-dimethyloxirane;hydride;oxido formate is CC1(C)CO1.CN(C)C(=O)c1cnn2cc(O)cc(Br)c12.CN(C)C(=O)c1cnn2cc(OCC(C)(C)O)cc(Br)c12.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;4-bromo-6-hydroxy-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2-dimethyloxirane;hydride;oxido formate?
The InChIKey is JHVPHLVGCIUOCG-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18BrN3O3.C10H10BrN3O2.C4H8O.CH2O3.2K.H/c1-14(2,20)8-21-9-5-11(15)12-10(13(19)17(3)4)6-16-18(12)7-9;1-13(2)10(16)7-4-12-14-5-6(15)3-8(11)9(7)14;1-4(2)3-5-4;2-1-4-3;;;/h5-7,20H,8H2,1-4H3;3-5,15H,1-2H3;3H2,1-2H3;1,3H;;;/q;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;4-bromo-6-hydroxy-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2-dimethyloxirane;hydride;oxido formate?
dipotassium;4-bromo-6-hydroxy-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2-dimethyloxirane;hydride;oxido formate has a molecular weight of 852.66 g/mol, XLogP of -3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4-bromo-6-hydroxy-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)-N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2-dimethyloxirane;hydride;oxido formate is sourced from PubChem (CID 167688862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).