ethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate

C17H17N3O5 — CID 135454820

IUPACethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(O)c2cnn(CC(O)c3ccccc3)c2[nH]c1=O
InChIInChI=1S/C17H17N3O5/c1-2-25-17(24)13-14(22)11-8-18-20(15(11)19-16(13)23)9-12(21)10-6-4-3-5-7-10/h3-8,12,21H,2,9H2,1H3,(H2,19,22,23)
InChIKeyBYIKYUTYBWBKIL-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.34
Rot. Bonds5

About ethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate

ethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 135454820) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID135454820
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Nameethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(O)c2cnn(CC(O)c3ccccc3)c2[nH]c1=O
InChIInChI=1S/C17H17N3O5/c1-2-25-17(24)13-14(22)11-8-18-20(15(11)19-16(13)23)9-12(21)10-6-4-3-5-7-10/h3-8,12,21H,2,9H2,1H3,(H2,19,22,23)
InChIKeyBYIKYUTYBWBKIL-UHFFFAOYSA-N
XLogP1.34
TPSA117.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 135454820) is ethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate is CCOC(=O)c1c(O)c2cnn(CC(O)c3ccccc3)c2[nH]c1=O.
What is the InChIKey of ethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is BYIKYUTYBWBKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-2-25-17(24)13-14(22)11-8-18-20(15(11)19-16(13)23)9-12(21)10-6-4-3-5-7-10/h3-8,12,21H,2,9H2,1H3,(H2,19,22,23).
What are the key properties of ethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate?
ethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 343.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-(2-hydroxy-2-phenylethyl)-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 135454820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).