[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

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Related Compounds

(3,5-dichloro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]methanone
CID 2077859
1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 16778556
(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone
CID 17457376
[9-(2-hydroxyethyl)pyrido[2,3-b]indol-3-yl]-(2-hydroxy-5-methoxyphenyl)methanone
CID 121478909
(2-hydroxyphenyl)-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
CID 4798152
5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine
CID 143347890
(2-hydroxy-5-methylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 901814
(5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone
CID 12717850
(2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
CID 139223049
(2-hydroxyphenyl)-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 11023968
2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol
CID 66576724
[4-(2-hydroxyethoxy)phenyl]-(2-hydroxyphenyl)methanone
CID 139738783

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).