2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid

C11H14N4O2 — CID 83841415

IUPAC2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid
SMILESCc1nn(C)c2nccc(N(C)CC(=O)O)c12
InChIInChI=1S/C11H14N4O2/c1-7-10-8(14(2)6-9(16)17)4-5-12-11(10)15(3)13-7/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyFLDNUWHHYSRYJV-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.80
Rot. Bonds3

About 2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid

2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid (PubChem CID 83841415) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid
PubChem CID83841415
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid
SMILESCc1nn(C)c2nccc(N(C)CC(=O)O)c12
InChIInChI=1S/C11H14N4O2/c1-7-10-8(14(2)6-9(16)17)4-5-12-11(10)15(3)13-7/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyFLDNUWHHYSRYJV-UHFFFAOYSA-N
XLogP0.80
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid (CID 83841415) is 2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid is Cc1nn(C)c2nccc(N(C)CC(=O)O)c12.
What is the InChIKey of 2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid?
The InChIKey is FLDNUWHHYSRYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7-10-8(14(2)6-9(16)17)4-5-12-11(10)15(3)13-7/h4-5H,6H2,1-3H3,(H,16,17).
What are the key properties of 2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid?
2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid has a molecular weight of 234.26 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-methylamino]acetic acid is sourced from PubChem (CID 83841415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).