3-[6-cyano-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid

C18H17N5O2 — CID 69185615

IUPAC3-[6-cyano-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid
SMILESCCn1ncc2c(-c3cncc(C)c3)c(CCC(=O)O)c(C#N)nc21
InChIInChI=1S/C18H17N5O2/c1-3-23-18-14(10-21-23)17(12-6-11(2)8-20-9-12)13(4-5-16(24)25)15(7-19)22-18/h6,8-10H,3-5H2,1-2H3,(H,24,25)
InChIKeyVIDGSYGYEGLZPM-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.71
Rot. Bonds5

About 3-[6-cyano-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid

3-[6-cyano-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid (PubChem CID 69185615) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-[6-cyano-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-cyano-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid
PubChem CID69185615
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-[6-cyano-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid
SMILESCCn1ncc2c(-c3cncc(C)c3)c(CCC(=O)O)c(C#N)nc21
InChIInChI=1S/C18H17N5O2/c1-3-23-18-14(10-21-23)17(12-6-11(2)8-20-9-12)13(4-5-16(24)25)15(7-19)22-18/h6,8-10H,3-5H2,1-2H3,(H,24,25)
InChIKeyVIDGSYGYEGLZPM-UHFFFAOYSA-N
XLogP2.71
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-cyano-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid?
The IUPAC name of 3-[6-cyano-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid (CID 69185615) is 3-[6-cyano-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid.
What is the SMILES notation for 3-[6-cyano-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid?
The canonical SMILES for 3-[6-cyano-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid is CCn1ncc2c(-c3cncc(C)c3)c(CCC(=O)O)c(C#N)nc21.
What is the InChIKey of 3-[6-cyano-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid?
The InChIKey is VIDGSYGYEGLZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-3-23-18-14(10-21-23)17(12-6-11(2)8-20-9-12)13(4-5-16(24)25)15(7-19)22-18/h6,8-10H,3-5H2,1-2H3,(H,24,25).
What are the key properties of 3-[6-cyano-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid?
3-[6-cyano-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid has a molecular weight of 335.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-cyano-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid is sourced from PubChem (CID 69185615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).