ethyl 2-(5-formylpyrazol-1-yl)acetate;ethyl 6-hydroxypyrazolo[1,5-a]pyridine-7-carboxylate;pyrazolo[1,5-a]pyridin-6-ol;pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate;2-[4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-3-yl)phenoxy]ethanol

C53H48F3N11O12S — CID 158076310

IUPACethyl 2-(5-formylpyrazol-1-yl)acetate;ethyl 6-hydroxypyrazolo[1,5-a]pyridine-7-carboxylate;pyrazolo[1,5-a]pyridin-6-ol;pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate;2-[4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-3-yl)phenoxy]ethanol
SMILESCCOC(=O)Cn1nccc1C=O.CCOC(=O)c1c(O)ccc2ccnn12.O=S(=O)(Oc1ccc2ccnn2c1)C(F)(F)F.OCCOc1ccc(-c2cnn3cc(-c4ccncc4)ccc23)cc1.Oc1ccc2ccnn2c1
InChIInChI=1S/C20H17N3O2.C10H10N2O3.C8H5F3N2O3S.C8H10N2O3.C7H6N2O/c24-11-12-25-18-4-1-16(2-5-18)19-13-22-23-14-17(3-6-20(19)23)15-7-9-21-10-8-15;1-2-15-10(14)9-8(13)4-3-7-5-6-11-12(7)9;9-8(10,11)17(14,15)16-7-2-1-6-3-4-12-13(6)5-7;1-2-13-8(12)5-10-7(6-11)3-4-9-10;10-7-2-1-6-3-4-8-9(6)5-7/h1-10,13-14,24H,11-12H2;3-6,13H,2H2,1H3;1-5H;3-4,6H,2,5H2,1H3;1-5,10H
InChIKeyFMKJTQLSZIWXGD-UHFFFAOYSA-N
MW1120.09 g/mol
LogP7.51
Rot. Bonds13

About ethyl 2-(5-formylpyrazol-1-yl)acetate;ethyl 6-hydroxypyrazolo[1,5-a]pyridine-7-carboxylate;pyrazolo[1,5-a]pyridin-6-ol;pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate;2-[4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-3-yl)phenoxy]ethanol

ethyl 2-(5-formylpyrazol-1-yl)acetate;ethyl 6-hydroxypyrazolo[1,5-a]pyridine-7-carboxylate;pyrazolo[1,5-a]pyridin-6-ol;pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate;2-[4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-3-yl)phenoxy]ethanol (PubChem CID 158076310) has the molecular formula C53H48F3N11O12S and a molecular weight of 1120.09 g/mol. Its IUPAC name is ethyl 2-(5-formylpyrazol-1-yl)acetate;ethyl 6-hydroxypyrazolo[1,5-a]pyridine-7-carboxylate;pyrazolo[1,5-a]pyridin-6-ol;pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate;2-[4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-3-yl)phenoxy]ethanol.

Molecular Properties

Compound Nameethyl 2-(5-formylpyrazol-1-yl)acetate;ethyl 6-hydroxypyrazolo[1,5-a]pyridine-7-carboxylate;pyrazolo[1,5-a]pyridin-6-ol;pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate;2-[4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-3-yl)phenoxy]ethanol
PubChem CID158076310
Molecular FormulaC53H48F3N11O12S
Molecular Weight1120.09 g/mol
Exact Mass1119.32
IUPAC Nameethyl 2-(5-formylpyrazol-1-yl)acetate;ethyl 6-hydroxypyrazolo[1,5-a]pyridine-7-carboxylate;pyrazolo[1,5-a]pyridin-6-ol;pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate;2-[4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-3-yl)phenoxy]ethanol
SMILESCCOC(=O)Cn1nccc1C=O.CCOC(=O)c1c(O)ccc2ccnn12.O=S(=O)(Oc1ccc2ccnn2c1)C(F)(F)F.OCCOc1ccc(-c2cnn3cc(-c4ccncc4)ccc23)cc1.Oc1ccc2ccnn2c1
InChIInChI=1S/C20H17N3O2.C10H10N2O3.C8H5F3N2O3S.C8H10N2O3.C7H6N2O/c24-11-12-25-18-4-1-16(2-5-18)19-13-22-23-14-17(3-6-20(19)23)15-7-9-21-10-8-15;1-2-15-10(14)9-8(13)4-3-7-5-6-11-12(7)9;9-8(10,11)17(14,15)16-7-2-1-6-3-4-12-13(6)5-7;1-2-13-8(12)5-10-7(6-11)3-4-9-10;10-7-2-1-6-3-4-8-9(6)5-7/h1-10,13-14,24H,11-12H2;3-6,13H,2H2,1H3;1-5H;3-4,6H,2,5H2,1H3;1-5,10H
InChIKeyFMKJTQLSZIWXGD-UHFFFAOYSA-N
XLogP7.51
TPSA282.87 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds13
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001120.09
LogP ≤ 57.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze ethyl 2-(5-formylpyrazol-1-yl)acetate;ethyl 6-hydroxypyrazolo[1,5-a]pyridine-7-carboxylate;pyrazolo[1,5-a]pyridin-6-ol;pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate;2-[4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-3-yl)phenoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-(dimethylcarbamoyl)-1-methylpyrazol-5-yl]pyridine-3-carboxamide;[6-[3-(dimethylcarbamoyl)-1-methylpyrazol-5-yl]-3-pyridinyl] trifluoromethanesulfonate;5-(5-hydroxy-2-pyridinyl)-N,N,1-trimethylpyrazole-3-carboxamide;5-(5-isocyano-2-pyridinyl)-N,N,1-trimethylpyrazole-3-carboxamide;N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide
CID 157736048
2-(2,5-Dimethylpyrazol-3-yl)-5-isocyanopyridine;2-(2,5-dimethylpyrazol-3-yl)-5-phenylmethoxypyridine;6-(2,5-dimethylpyrazol-3-yl)pyridin-3-ol;[6-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl] trifluoromethanesulfonate;1-(5-isocyano-2-pyridinyl)butane-1,3-dione;1-(5-isocyano-2-pyridinyl)ethanone;5-(5-isocyano-2-pyridinyl)-1-methylpyrazole-3-carboxylic acid
CID 158632800

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-formylpyrazol-1-yl)acetate;ethyl 6-hydroxypyrazolo[1,5-a]pyridine-7-carboxylate;pyrazolo[1,5-a]pyridin-6-ol;pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate;2-[4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-3-yl)phenoxy]ethanol?
The IUPAC name of ethyl 2-(5-formylpyrazol-1-yl)acetate;ethyl 6-hydroxypyrazolo[1,5-a]pyridine-7-carboxylate;pyrazolo[1,5-a]pyridin-6-ol;pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate;2-[4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-3-yl)phenoxy]ethanol (CID 158076310) is ethyl 2-(5-formylpyrazol-1-yl)acetate;ethyl 6-hydroxypyrazolo[1,5-a]pyridine-7-carboxylate;pyrazolo[1,5-a]pyridin-6-ol;pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate;2-[4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-3-yl)phenoxy]ethanol.
What is the SMILES notation for ethyl 2-(5-formylpyrazol-1-yl)acetate;ethyl 6-hydroxypyrazolo[1,5-a]pyridine-7-carboxylate;pyrazolo[1,5-a]pyridin-6-ol;pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate;2-[4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-3-yl)phenoxy]ethanol?
The canonical SMILES for ethyl 2-(5-formylpyrazol-1-yl)acetate;ethyl 6-hydroxypyrazolo[1,5-a]pyridine-7-carboxylate;pyrazolo[1,5-a]pyridin-6-ol;pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate;2-[4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-3-yl)phenoxy]ethanol is CCOC(=O)Cn1nccc1C=O.CCOC(=O)c1c(O)ccc2ccnn12.O=S(=O)(Oc1ccc2ccnn2c1)C(F)(F)F.OCCOc1ccc(-c2cnn3cc(-c4ccncc4)ccc23)cc1.Oc1ccc2ccnn2c1.
What is the InChIKey of ethyl 2-(5-formylpyrazol-1-yl)acetate;ethyl 6-hydroxypyrazolo[1,5-a]pyridine-7-carboxylate;pyrazolo[1,5-a]pyridin-6-ol;pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate;2-[4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-3-yl)phenoxy]ethanol?
The InChIKey is FMKJTQLSZIWXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2.C10H10N2O3.C8H5F3N2O3S.C8H10N2O3.C7H6N2O/c24-11-12-25-18-4-1-16(2-5-18)19-13-22-23-14-17(3-6-20(19)23)15-7-9-21-10-8-15;1-2-15-10(14)9-8(13)4-3-7-5-6-11-12(7)9;9-8(10,11)17(14,15)16-7-2-1-6-3-4-12-13(6)5-7;1-2-13-8(12)5-10-7(6-11)3-4-9-10;10-7-2-1-6-3-4-8-9(6)5-7/h1-10,13-14,24H,11-12H2;3-6,13H,2H2,1H3;1-5H;3-4,6H,2,5H2,1H3;1-5,10H.
What are the key properties of ethyl 2-(5-formylpyrazol-1-yl)acetate;ethyl 6-hydroxypyrazolo[1,5-a]pyridine-7-carboxylate;pyrazolo[1,5-a]pyridin-6-ol;pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate;2-[4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-3-yl)phenoxy]ethanol?
ethyl 2-(5-formylpyrazol-1-yl)acetate;ethyl 6-hydroxypyrazolo[1,5-a]pyridine-7-carboxylate;pyrazolo[1,5-a]pyridin-6-ol;pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate;2-[4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-3-yl)phenoxy]ethanol has a molecular weight of 1120.09 g/mol, XLogP of 7.51, 13 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-formylpyrazol-1-yl)acetate;ethyl 6-hydroxypyrazolo[1,5-a]pyridine-7-carboxylate;pyrazolo[1,5-a]pyridin-6-ol;pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate;2-[4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-3-yl)phenoxy]ethanol is sourced from PubChem (CID 158076310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).