3-[1-(2-hydroxyethyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid

C14H19N3O3 — CID 16777088

IUPAC3-[1-(2-hydroxyethyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid
SMILESCc1nc2c(c(C)nn2CCO)c(C)c1CCC(=O)O
InChIInChI=1S/C14H19N3O3/c1-8-11(4-5-12(19)20)9(2)15-14-13(8)10(3)16-17(14)6-7-18/h18H,4-7H2,1-3H3,(H,19,20)
InChIKeyOSHNUZBSRYBGME-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.37
Rot. Bonds5

About 3-[1-(2-hydroxyethyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid

3-[1-(2-hydroxyethyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid (PubChem CID 16777088) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[1-(2-hydroxyethyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-hydroxyethyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid
PubChem CID16777088
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[1-(2-hydroxyethyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid
SMILESCc1nc2c(c(C)nn2CCO)c(C)c1CCC(=O)O
InChIInChI=1S/C14H19N3O3/c1-8-11(4-5-12(19)20)9(2)15-14-13(8)10(3)16-17(14)6-7-18/h18H,4-7H2,1-3H3,(H,19,20)
InChIKeyOSHNUZBSRYBGME-UHFFFAOYSA-N
XLogP1.37
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxyethyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid?
The IUPAC name of 3-[1-(2-hydroxyethyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid (CID 16777088) is 3-[1-(2-hydroxyethyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-hydroxyethyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-hydroxyethyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid is Cc1nc2c(c(C)nn2CCO)c(C)c1CCC(=O)O.
What is the InChIKey of 3-[1-(2-hydroxyethyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid?
The InChIKey is OSHNUZBSRYBGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-11(4-5-12(19)20)9(2)15-14-13(8)10(3)16-17(14)6-7-18/h18H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 3-[1-(2-hydroxyethyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid?
3-[1-(2-hydroxyethyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxyethyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]propanoic acid is sourced from PubChem (CID 16777088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).