4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C14H18N4O3 — CID 114678908

IUPAC4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCC1CN(c2c(C(=O)O)cnc3c2cnn3C)CCC1O
InChIInChI=1S/C14H18N4O3/c1-8-7-18(4-3-11(8)19)12-9-6-16-17(2)13(9)15-5-10(12)14(20)21/h5-6,8,11,19H,3-4,7H2,1-2H3,(H,20,21)
InChIKeyHSEQBQLFYVSELM-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.87
Rot. Bonds2

About 4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 114678908) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID114678908
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCC1CN(c2c(C(=O)O)cnc3c2cnn3C)CCC1O
InChIInChI=1S/C14H18N4O3/c1-8-7-18(4-3-11(8)19)12-9-6-16-17(2)13(9)15-5-10(12)14(20)21/h5-6,8,11,19H,3-4,7H2,1-2H3,(H,20,21)
InChIKeyHSEQBQLFYVSELM-UHFFFAOYSA-N
XLogP0.87
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid with MolForge

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Related Compounds

ethyl 1-methyl-4-[(3R)-3-methylsulfanylazepan-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 99624269
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445709
3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 105062852
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445649
ethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133475735
2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]benzoic acid
CID 129394712
4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 70010744
1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol
CID 114681779
6-(4-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carboxylic acid
CID 114678867
4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136987918
1-methyl-4-(3-methylbutan-2-ylsulfanyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 107747253

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 114678908) is 4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid is CC1CN(c2c(C(=O)O)cnc3c2cnn3C)CCC1O.
What is the InChIKey of 4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is HSEQBQLFYVSELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8-7-18(4-3-11(8)19)12-9-6-16-17(2)13(9)15-5-10(12)14(20)21/h5-6,8,11,19H,3-4,7H2,1-2H3,(H,20,21).
What are the key properties of 4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 114678908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).