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

C11H13N3O2 — CID 58057577

IUPACmethyl 2-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
SMILESCOC(=O)C(C)Cc1[nH]nc2ncccc12
InChIInChI=1S/C11H13N3O2/c1-7(11(15)16-2)6-9-8-4-3-5-12-10(8)14-13-9/h3-5,7H,6H2,1-2H3,(H,12,13,14)
InChIKeyUEQRKXLCJKRXAV-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.31
Rot. Bonds3

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

methyl 2-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate (PubChem CID 58057577) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 2-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
PubChem CID58057577
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl 2-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
SMILESCOC(=O)C(C)Cc1[nH]nc2ncccc12
InChIInChI=1S/C11H13N3O2/c1-7(11(15)16-2)6-9-8-4-3-5-12-10(8)14-13-9/h3-5,7H,6H2,1-2H3,(H,12,13,14)
InChIKeyUEQRKXLCJKRXAV-UHFFFAOYSA-N
XLogP1.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate?
The IUPAC name of methyl 2-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate (CID 58057577) is methyl 2-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate?
The canonical SMILES for methyl 2-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate is COC(=O)C(C)Cc1[nH]nc2ncccc12.
What is the InChIKey of methyl 2-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate?
The InChIKey is UEQRKXLCJKRXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(11(15)16-2)6-9-8-4-3-5-12-10(8)14-13-9/h3-5,7H,6H2,1-2H3,(H,12,13,14).
What are the key properties of methyl 2-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate?
methyl 2-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate has a molecular weight of 219.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate is sourced from PubChem (CID 58057577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).