1-(5-chloro-2-pyridinyl)-6-ethyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid

C17H17ClN4O2 — CID 155532074

IUPAC1-(5-chloro-2-pyridinyl)-6-ethyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Cl)cn3)c2n1
InChIInChI=1S/C17H17ClN4O2/c1-4-11-7-12(17(23)24)14-15(9(2)3)21-22(16(14)20-11)13-6-5-10(18)8-19-13/h5-9H,4H2,1-3H3,(H,23,24)
InChIKeyQEUFHSQMSJBGIV-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.85
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-6-ethyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid

1-(5-chloro-2-pyridinyl)-6-ethyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 155532074) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-6-ethyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-6-ethyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID155532074
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name1-(5-chloro-2-pyridinyl)-6-ethyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Cl)cn3)c2n1
InChIInChI=1S/C17H17ClN4O2/c1-4-11-7-12(17(23)24)14-15(9(2)3)21-22(16(14)20-11)13-6-5-10(18)8-19-13/h5-9H,4H2,1-3H3,(H,23,24)
InChIKeyQEUFHSQMSJBGIV-UHFFFAOYSA-N
XLogP3.85
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-6-ethyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-6-ethyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 155532074) is 1-(5-chloro-2-pyridinyl)-6-ethyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-6-ethyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-6-ethyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid is CCc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Cl)cn3)c2n1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-6-ethyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is QEUFHSQMSJBGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-4-11-7-12(17(23)24)14-15(9(2)3)21-22(16(14)20-11)13-6-5-10(18)8-19-13/h5-9H,4H2,1-3H3,(H,23,24).
What are the key properties of 1-(5-chloro-2-pyridinyl)-6-ethyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
1-(5-chloro-2-pyridinyl)-6-ethyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 344.80 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-6-ethyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 155532074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).