4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C26H30N6O3 — CID 126741810

IUPAC4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(C2CCCOC2)c2nc(C(=O)O)cc(-c3ccc(N4CCC(C#N)CC4)nc3)c12
InChIInChI=1S/C26H30N6O3/c1-16(2)24-23-20(18-5-6-22(28-14-18)31-9-7-17(13-27)8-10-31)12-21(26(33)34)29-25(23)32(30-24)19-4-3-11-35-15-19/h5-6,12,14,16-17,19H,3-4,7-11,15H2,1-2H3,(H,33,34)
InChIKeyNXSGZZRQBVWKNF-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.41
Rot. Bonds5

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

4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126741810) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126741810
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(C2CCCOC2)c2nc(C(=O)O)cc(-c3ccc(N4CCC(C#N)CC4)nc3)c12
InChIInChI=1S/C26H30N6O3/c1-16(2)24-23-20(18-5-6-22(28-14-18)31-9-7-17(13-27)8-10-31)12-21(26(33)34)29-25(23)32(30-24)19-4-3-11-35-15-19/h5-6,12,14,16-17,19H,3-4,7-11,15H2,1-2H3,(H,33,34)
InChIKeyNXSGZZRQBVWKNF-UHFFFAOYSA-N
XLogP4.41
TPSA117.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126741810) is 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CC(C)c1nn(C2CCCOC2)c2nc(C(=O)O)cc(-c3ccc(N4CCC(C#N)CC4)nc3)c12.
What is the InChIKey of 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is NXSGZZRQBVWKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-16(2)24-23-20(18-5-6-22(28-14-18)31-9-7-17(13-27)8-10-31)12-21(26(33)34)29-25(23)32(30-24)19-4-3-11-35-15-19/h5-6,12,14,16-17,19H,3-4,7-11,15H2,1-2H3,(H,33,34).
What are the key properties of 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 474.57 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126741810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).