potassium;6-(5-carboxy-1H-pyrazol-3-yl)pyridine-3-carboxylic acid;ethyl 3-(5-acetyl-2-pyridinyl)-1H-pyrazole-5-carboxylate;methane;hydroxide

C24H25KN6O8 — CID 159258801

IUPACpotassium;6-(5-carboxy-1H-pyrazol-3-yl)pyridine-3-carboxylic acid;ethyl 3-(5-acetyl-2-pyridinyl)-1H-pyrazole-5-carboxylate;methane;hydroxide
SMILESC.CCOC(=O)c1cc(-c2ccc(C(C)=O)cn2)n[nH]1.O=C(O)c1ccc(-c2cc(C(=O)O)[nH]n2)nc1.[K+].[OH-]
InChIInChI=1S/C13H13N3O3.C10H7N3O4.CH4.K.H2O/c1-3-19-13(18)12-6-11(15-16-12)10-5-4-9(7-14-10)8(2)17;14-9(15)5-1-2-6(11-4-5)7-3-8(10(16)17)13-12-7;;;/h4-7H,3H2,1-2H3,(H,15,16);1-4H,(H,12,13)(H,14,15)(H,16,17);1H4;;1H2/q;;;+1;/p-1
InChIKeyKWFYYTQAJDKBNU-UHFFFAOYSA-M
MW564.60 g/mol
LogP0.18
Rot. Bonds7

About potassium;6-(5-carboxy-1H-pyrazol-3-yl)pyridine-3-carboxylic acid;ethyl 3-(5-acetyl-2-pyridinyl)-1H-pyrazole-5-carboxylate;methane;hydroxide

potassium;6-(5-carboxy-1H-pyrazol-3-yl)pyridine-3-carboxylic acid;ethyl 3-(5-acetyl-2-pyridinyl)-1H-pyrazole-5-carboxylate;methane;hydroxide (PubChem CID 159258801) has the molecular formula C24H25KN6O8 and a molecular weight of 564.60 g/mol. Its IUPAC name is potassium;6-(5-carboxy-1H-pyrazol-3-yl)pyridine-3-carboxylic acid;ethyl 3-(5-acetyl-2-pyridinyl)-1H-pyrazole-5-carboxylate;methane;hydroxide.

Molecular Properties

Compound Namepotassium;6-(5-carboxy-1H-pyrazol-3-yl)pyridine-3-carboxylic acid;ethyl 3-(5-acetyl-2-pyridinyl)-1H-pyrazole-5-carboxylate;methane;hydroxide
PubChem CID159258801
Molecular FormulaC24H25KN6O8
Molecular Weight564.60 g/mol
Exact Mass564.14
IUPAC Namepotassium;6-(5-carboxy-1H-pyrazol-3-yl)pyridine-3-carboxylic acid;ethyl 3-(5-acetyl-2-pyridinyl)-1H-pyrazole-5-carboxylate;methane;hydroxide
SMILESC.CCOC(=O)c1cc(-c2ccc(C(C)=O)cn2)n[nH]1.O=C(O)c1ccc(-c2cc(C(=O)O)[nH]n2)nc1.[K+].[OH-]
InChIInChI=1S/C13H13N3O3.C10H7N3O4.CH4.K.H2O/c1-3-19-13(18)12-6-11(15-16-12)10-5-4-9(7-14-10)8(2)17;14-9(15)5-1-2-6(11-4-5)7-3-8(10(16)17)13-12-7;;;/h4-7H,3H2,1-2H3,(H,15,16);1-4H,(H,12,13)(H,14,15)(H,16,17);1H4;;1H2/q;;;+1;/p-1
InChIKeyKWFYYTQAJDKBNU-UHFFFAOYSA-M
XLogP0.18
TPSA231.11 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.60
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Launch Full Analysis

Related Compounds

ethyl 3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylate
CID 15958783
ethyl 3-(4-fluoro-3-(2-oxo-2-(4-(3-phenyl-1H-pyrazol-4-yl)piperazin-1-yl)acetyl)-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate
CID 49770166
3-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylic acid
CID 59113400
ethyl 3-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxylate
CID 59113458
2-(7-(5-(ethoxycarbonyl)-1H-pyrazol-3-yl)-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid
CID 59511177
propan-2-yl 3-(3-fluoro-2-pyridinyl)-5-(propan-2-yloxymethyl)-1H-pyrazole-4-carboxylate
CID 67168047
ethyl 3-(3-fluoro-2-pyridinyl)-4-formyl-1H-pyrazole-5-carboxylate
CID 87293814
ethyl 3-(4-fluoro-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate
CID 89023206
6-[3-(Trifluoromethyl)-1H-pyrazole-5-yl]-2,2'-bipyridine-4,4'-dicarboxylic acid
CID 89761964
Ethyl 5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-3-carboxylate
CID 122653827
ethyl 3-(4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrazole-5-carboxylate
CID 141187653
Osmium(II) pyridylpyrazolate
CID 129822436

Frequently Asked Questions

What is the IUPAC name of potassium;6-(5-carboxy-1H-pyrazol-3-yl)pyridine-3-carboxylic acid;ethyl 3-(5-acetyl-2-pyridinyl)-1H-pyrazole-5-carboxylate;methane;hydroxide?
The IUPAC name of potassium;6-(5-carboxy-1H-pyrazol-3-yl)pyridine-3-carboxylic acid;ethyl 3-(5-acetyl-2-pyridinyl)-1H-pyrazole-5-carboxylate;methane;hydroxide (CID 159258801) is potassium;6-(5-carboxy-1H-pyrazol-3-yl)pyridine-3-carboxylic acid;ethyl 3-(5-acetyl-2-pyridinyl)-1H-pyrazole-5-carboxylate;methane;hydroxide.
What is the SMILES notation for potassium;6-(5-carboxy-1H-pyrazol-3-yl)pyridine-3-carboxylic acid;ethyl 3-(5-acetyl-2-pyridinyl)-1H-pyrazole-5-carboxylate;methane;hydroxide?
The canonical SMILES for potassium;6-(5-carboxy-1H-pyrazol-3-yl)pyridine-3-carboxylic acid;ethyl 3-(5-acetyl-2-pyridinyl)-1H-pyrazole-5-carboxylate;methane;hydroxide is C.CCOC(=O)c1cc(-c2ccc(C(C)=O)cn2)n[nH]1.O=C(O)c1ccc(-c2cc(C(=O)O)[nH]n2)nc1.[K+].[OH-].
What is the InChIKey of potassium;6-(5-carboxy-1H-pyrazol-3-yl)pyridine-3-carboxylic acid;ethyl 3-(5-acetyl-2-pyridinyl)-1H-pyrazole-5-carboxylate;methane;hydroxide?
The InChIKey is KWFYYTQAJDKBNU-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H13N3O3.C10H7N3O4.CH4.K.H2O/c1-3-19-13(18)12-6-11(15-16-12)10-5-4-9(7-14-10)8(2)17;14-9(15)5-1-2-6(11-4-5)7-3-8(10(16)17)13-12-7;;;/h4-7H,3H2,1-2H3,(H,15,16);1-4H,(H,12,13)(H,14,15)(H,16,17);1H4;;1H2/q;;;+1;/p-1.
What are the key properties of potassium;6-(5-carboxy-1H-pyrazol-3-yl)pyridine-3-carboxylic acid;ethyl 3-(5-acetyl-2-pyridinyl)-1H-pyrazole-5-carboxylate;methane;hydroxide?
potassium;6-(5-carboxy-1H-pyrazol-3-yl)pyridine-3-carboxylic acid;ethyl 3-(5-acetyl-2-pyridinyl)-1H-pyrazole-5-carboxylate;methane;hydroxide has a molecular weight of 564.60 g/mol, XLogP of 0.18, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;6-(5-carboxy-1H-pyrazol-3-yl)pyridine-3-carboxylic acid;ethyl 3-(5-acetyl-2-pyridinyl)-1H-pyrazole-5-carboxylate;methane;hydroxide is sourced from PubChem (CID 159258801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).