ethyl 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine-3-carboxylate

C21H17N3O3 — CID 135923146

IUPACethyl 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c2nc(-c3ccccc3O)ccc12
InChIInChI=1S/C21H17N3O3/c1-2-27-21(26)19-16-12-13-17(15-10-6-7-11-18(15)25)22-20(16)24(23-19)14-8-4-3-5-9-14/h3-13,25H,2H2,1H3
InChIKeyACPGLNXBOJJOJU-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.97
Rot. Bonds4

About ethyl 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine-3-carboxylate

ethyl 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 135923146) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is ethyl 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID135923146
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Nameethyl 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c2nc(-c3ccccc3O)ccc12
InChIInChI=1S/C21H17N3O3/c1-2-27-21(26)19-16-12-13-17(15-10-6-7-11-18(15)25)22-20(16)24(23-19)14-8-4-3-5-9-14/h3-13,25H,2H2,1H3
InChIKeyACPGLNXBOJJOJU-UHFFFAOYSA-N
XLogP3.97
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-Cyclopropyl-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid
CID 46830628
Ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 777816
6-(2,5-dimethoxyphenyl)-3-(4-ethylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16018598
6-(2-Hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 136218667
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 162649286
2-(5-Methyl-2,7-diphenylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 70660305
3-Methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 118414934
Methyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 772558
7-Methyl-5-phenyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid isopropyl ester
CID 807563
Ethyl [3-(2-methoxyphenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate
CID 2202720
Isopropyl 5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 1110999
Ethyl 2-(3-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 5309074

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine-3-carboxylate (CID 135923146) is ethyl 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2)c2nc(-c3ccccc3O)ccc12.
What is the InChIKey of ethyl 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is ACPGLNXBOJJOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-2-27-21(26)19-16-12-13-17(15-10-6-7-11-18(15)25)22-20(16)24(23-19)14-8-4-3-5-9-14/h3-13,25H,2H2,1H3.
What are the key properties of ethyl 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine-3-carboxylate?
ethyl 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 359.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 135923146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).