[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone

C17H17N3O4 — CID 2542008

IUPAC[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)c2cnc3c(c2)c(C)nn3CCO)c1
InChIInChI=1S/C17H17N3O4/c1-10-13-7-11(9-18-17(13)20(19-10)5-6-21)16(23)14-8-12(24-2)3-4-15(14)22/h3-4,7-9,21-22H,5-6H2,1-2H3
InChIKeySRUFJUHGEVVOMU-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.68
Rot. Bonds5

About [1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone

[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone (PubChem CID 2542008) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is [1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone
PubChem CID2542008
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)c2cnc3c(c2)c(C)nn3CCO)c1
InChIInChI=1S/C17H17N3O4/c1-10-13-7-11(9-18-17(13)20(19-10)5-6-21)16(23)14-8-12(24-2)3-4-15(14)22/h3-4,7-9,21-22H,5-6H2,1-2H3
InChIKeySRUFJUHGEVVOMU-UHFFFAOYSA-N
XLogP1.68
TPSA97.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
The IUPAC name of [1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone (CID 2542008) is [1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone.
What is the SMILES notation for [1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
The canonical SMILES for [1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone is COc1ccc(O)c(C(=O)c2cnc3c(c2)c(C)nn3CCO)c1.
What is the InChIKey of [1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
The InChIKey is SRUFJUHGEVVOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-10-13-7-11(9-18-17(13)20(19-10)5-6-21)16(23)14-8-12(24-2)3-4-15(14)22/h3-4,7-9,21-22H,5-6H2,1-2H3.
What are the key properties of [1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
[1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone has a molecular weight of 327.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxyethyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone is sourced from PubChem (CID 2542008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).