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

C12H15N3O2 — CID 58057636

IUPACmethyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
SMILESCOC(=O)C(C)(C)Cc1[nH]nc2ncccc12
InChIInChI=1S/C12H15N3O2/c1-12(2,11(16)17-3)7-9-8-5-4-6-13-10(8)15-14-9/h4-6H,7H2,1-3H3,(H,13,14,15)
InChIKeyMEPJKMSFVGSKCY-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.70
Rot. Bonds3

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

methyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate (PubChem CID 58057636) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
PubChem CID58057636
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namemethyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
SMILESCOC(=O)C(C)(C)Cc1[nH]nc2ncccc12
InChIInChI=1S/C12H15N3O2/c1-12(2,11(16)17-3)7-9-8-5-4-6-13-10(8)15-14-9/h4-6H,7H2,1-3H3,(H,13,14,15)
InChIKeyMEPJKMSFVGSKCY-UHFFFAOYSA-N
XLogP1.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 154919007
2-(benzotriazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
CID 138809856
[4-(2H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenyl] carbonochloridate
CID 102038734
methyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
CID 171864239
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
tert-butyl (2S)-2-hydroxy-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetate
CID 97305562
methyl 2,2-dimethyl-3-quinolin-8-yloxypropanoate
CID 79622266
methyl 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanoate
CID 79622873
6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 138386065
5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 138387015
3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;ethane
CID 161040738

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate (CID 58057636) is methyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate is COC(=O)C(C)(C)Cc1[nH]nc2ncccc12.
What is the InChIKey of methyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate?
The InChIKey is MEPJKMSFVGSKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,11(16)17-3)7-9-8-5-4-6-13-10(8)15-14-9/h4-6H,7H2,1-3H3,(H,13,14,15).
What are the key properties of methyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate?
methyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate has a molecular weight of 233.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate is sourced from PubChem (CID 58057636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).