1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid

C16H20N4O3 — CID 122117881

IUPAC1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)N3CC(C)CC(C(=O)O)C3)cc12
InChIInChI=1S/C16H20N4O3/c1-9-4-12(16(22)23)8-20(7-9)15(21)11-5-13-10(2)18-19(3)14(13)17-6-11/h5-6,9,12H,4,7-8H2,1-3H3,(H,22,23)
InChIKeyAEZVATHZDWBKIY-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.46
Rot. Bonds2

About 1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid

1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122117881) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122117881
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)N3CC(C)CC(C(=O)O)C3)cc12
InChIInChI=1S/C16H20N4O3/c1-9-4-12(16(22)23)8-20(7-9)15(21)11-5-13-10(2)18-19(3)14(13)17-6-11/h5-6,9,12H,4,7-8H2,1-3H3,(H,22,23)
InChIKeyAEZVATHZDWBKIY-UHFFFAOYSA-N
XLogP1.46
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118960
(2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137578
1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 119415537
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543986
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
CID 45081942
[3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119594000
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875033
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119645490
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
CID 95588132
1,3-dimethyl-N-(3-methylcyclopentyl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 114549712
1-(3,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119496
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 126791461

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid (CID 122117881) is 1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid is Cc1nn(C)c2ncc(C(=O)N3CC(C)CC(C(=O)O)C3)cc12.
What is the InChIKey of 1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is AEZVATHZDWBKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-9-4-12(16(22)23)8-20(7-9)15(21)11-5-13-10(2)18-19(3)14(13)17-6-11/h5-6,9,12H,4,7-8H2,1-3H3,(H,22,23).
What are the key properties of 1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid?
1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122117881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).