methyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate

C10H11N3O4 — CID 171864239

IUPACmethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
SMILESCOC(=O)C(O)C(O)c1[nH]nc2ncccc12
InChIInChI=1S/C10H11N3O4/c1-17-10(16)8(15)7(14)6-5-3-2-4-11-9(5)13-12-6/h2-4,7-8,14-15H,1H3,(H,11,12,13)
InChIKeyVXRGHYOQINRTQE-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.47
Rot. Bonds3

About methyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate

methyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate (PubChem CID 171864239) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is methyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
PubChem CID171864239
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Namemethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
SMILESCOC(=O)C(O)C(O)c1[nH]nc2ncccc12
InChIInChI=1S/C10H11N3O4/c1-17-10(16)8(15)7(14)6-5-3-2-4-11-9(5)13-12-6/h2-4,7-8,14-15H,1H3,(H,11,12,13)
InChIKeyVXRGHYOQINRTQE-UHFFFAOYSA-N
XLogP-0.47
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
CID 171866282
tert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate
CID 97305562
methyl 3-(5-aminonaphthalen-1-yl)-2,3-dihydroxypropanoate
CID 171864828
methyl 3-(1-chloroisoquinolin-4-yl)-2,3-dihydroxypropanoate
CID 171864822
methyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
CID 58057636
methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate
CID 171864271
[1-(2,4-dichlorophenyl)-2-methoxy-2-oxoethyl] 2H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 167876177
3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110866777
1-(2H-pyrazolo[3,4-b]pyridin-3-yl)propan-1-one
CID 134369259
2-(methylamino)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
CID 84662548
2-[2-(1,2-dihydroxy-3-methoxy-3-oxopropyl)phenoxy]acetic acid
CID 171864656
methyl (2S,3R)-2,3-dihydroxy-3-(2-methylphenyl)propanoate
CID 90018572

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate?
The IUPAC name of methyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate (CID 171864239) is methyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate.
What is the SMILES notation for methyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate?
The canonical SMILES for methyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate is COC(=O)C(O)C(O)c1[nH]nc2ncccc12.
What is the InChIKey of methyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate?
The InChIKey is VXRGHYOQINRTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-17-10(16)8(15)7(14)6-5-3-2-4-11-9(5)13-12-6/h2-4,7-8,14-15H,1H3,(H,11,12,13).
What are the key properties of methyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate?
methyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate has a molecular weight of 237.22 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate is sourced from PubChem (CID 171864239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).