[1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone

C21H17N3O3 — CID 2451940

IUPAC[1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnc2c(c1)c(-c1ccccc1)nn2CCO)c1ccccc1O
InChIInChI=1S/C21H17N3O3/c25-11-10-24-21-17(19(23-24)14-6-2-1-3-7-14)12-15(13-22-21)20(27)16-8-4-5-9-18(16)26/h1-9,12-13,25-26H,10-11H2
InChIKeyPJUKUYBHYKEGCO-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.03
Rot. Bonds5

About [1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone

[1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone (PubChem CID 2451940) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is [1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone
PubChem CID2451940
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name[1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnc2c(c1)c(-c1ccccc1)nn2CCO)c1ccccc1O
InChIInChI=1S/C21H17N3O3/c25-11-10-24-21-17(19(23-24)14-6-2-1-3-7-14)12-15(13-22-21)20(27)16-8-4-5-9-18(16)26/h1-9,12-13,25-26H,10-11H2
InChIKeyPJUKUYBHYKEGCO-UHFFFAOYSA-N
XLogP3.03
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone (CID 2451940) is [1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone is O=C(c1cnc2c(c1)c(-c1ccccc1)nn2CCO)c1ccccc1O.
What is the InChIKey of [1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is PJUKUYBHYKEGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-11-10-24-21-17(19(23-24)14-6-2-1-3-7-14)12-15(13-22-21)20(27)16-8-4-5-9-18(16)26/h1-9,12-13,25-26H,10-11H2.
What are the key properties of [1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone?
[1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 359.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 2451940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).