tert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate

C12H15N3O3 — CID 97305562

IUPACtert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate
SMILESCC(C)(C)OC(=O)[C@@H](O)c1[nH]nc2ncccc12
InChIInChI=1S/C12H15N3O3/c1-12(2,3)18-11(17)9(16)8-7-5-4-6-13-10(7)15-14-8/h4-6,9,16H,1-3H3,(H,13,14,15)/t9-/m0/s1
InChIKeyOPQDSAOSAAMEJD-VIFPVBQESA-N
MW249.27 g/mol
LogP1.33
Rot. Bonds2

About tert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate

tert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate (PubChem CID 97305562) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is tert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate.

Molecular Properties

Compound Nametert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate
PubChem CID97305562
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Nametert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate
SMILESCC(C)(C)OC(=O)[C@@H](O)c1[nH]nc2ncccc12
InChIInChI=1S/C12H15N3O3/c1-12(2,3)18-11(17)9(16)8-7-5-4-6-13-10(7)15-14-8/h4-6,9,16H,1-3H3,(H,13,14,15)/t9-/m0/s1
InChIKeyOPQDSAOSAAMEJD-VIFPVBQESA-N
XLogP1.33
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
CID 171864239
ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
CID 171866282
ethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate
CID 76681112
methyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
CID 58057636
3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane
CID 161040738
1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one
CID 134369259
tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate
CID 174374928
tert-butyl (2R,3S)-2-amino-3-hydroxy-3-(3-methyl-2-pyridinyl)propanoate
CID 125456367
2H-pyrazolo[3,4-b]pyridin-3-amine;hydrochloride
CID 155662054
tert-butyl (2S,3S)-2-amino-3-(2-bromo-3-pyridinyl)-3-hydroxypropanoate
CID 125456888
4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enoic acid
CID 170483714
2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
CID 84662548

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate?
The IUPAC name of tert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate (CID 97305562) is tert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate.
What is the SMILES notation for tert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate?
The canonical SMILES for tert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate is CC(C)(C)OC(=O)[C@@H](O)c1[nH]nc2ncccc12.
What is the InChIKey of tert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate?
The InChIKey is OPQDSAOSAAMEJD-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O3/c1-12(2,3)18-11(17)9(16)8-7-5-4-6-13-10(7)15-14-8/h4-6,9,16H,1-3H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of tert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate?
tert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate has a molecular weight of 249.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate is sourced from PubChem (CID 97305562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).