2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate

C17H17N3O4 — CID 141389743

IUPAC2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCOc1ccc(Cn2ncc3cc(C(=O)OCCO)cnc32)cc1
InChIInChI=1S/C17H17N3O4/c1-23-15-4-2-12(3-5-15)11-20-16-13(10-19-20)8-14(9-18-16)17(22)24-7-6-21/h2-5,8-10,21H,6-7,11H2,1H3
InChIKeyAXEWEXDEKFBOGQ-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.64
Rot. Bonds6

About 2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate

2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 141389743) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID141389743
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCOc1ccc(Cn2ncc3cc(C(=O)OCCO)cnc32)cc1
InChIInChI=1S/C17H17N3O4/c1-23-15-4-2-12(3-5-15)11-20-16-13(10-19-20)8-14(9-18-16)17(22)24-7-6-21/h2-5,8-10,21H,6-7,11H2,1H3
InChIKeyAXEWEXDEKFBOGQ-UHFFFAOYSA-N
XLogP1.64
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of 2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate (CID 141389743) is 2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for 2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate is COc1ccc(Cn2ncc3cc(C(=O)OCCO)cnc32)cc1.
What is the InChIKey of 2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is AXEWEXDEKFBOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-15-4-2-12(3-5-15)11-20-16-13(10-19-20)8-14(9-18-16)17(22)24-7-6-21/h2-5,8-10,21H,6-7,11H2,1H3.
What are the key properties of 2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate?
2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 141389743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).