1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid

C16H20N4O3 — CID 122117752

IUPAC1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C)CC(C(=O)O)C2)c2c(C)[nH]nc2n1
InChIInChI=1S/C16H20N4O3/c1-8-4-11(16(22)23)7-20(6-8)15(21)12-5-9(2)17-14-13(12)10(3)18-19-14/h5,8,11H,4,6-7H2,1-3H3,(H,22,23)(H,17,18,19)
InChIKeyKNSOKXVELZMDRO-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.76
Rot. Bonds2

About 1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid

1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122117752) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122117752
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C)CC(C(=O)O)C2)c2c(C)[nH]nc2n1
InChIInChI=1S/C16H20N4O3/c1-8-4-11(16(22)23)7-20(6-8)15(21)12-5-9(2)17-14-13(12)10(3)18-19-14/h5,8,11H,4,6-7H2,1-3H3,(H,22,23)(H,17,18,19)
InChIKeyKNSOKXVELZMDRO-UHFFFAOYSA-N
XLogP1.76
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid with MolForge

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Related Compounds

5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
CID 122118408
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117046
(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95383314
(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 167924718
(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone
CID 136534093
1-[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119935
1-(2,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119554
1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117753
5-methyl-1-(2-methyl-5-methylsulfanylbenzoyl)piperidine-3-carboxylic acid
CID 122118920
1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118304
3-[4-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)morpholin-2-yl]benzonitrile
CID 166189536
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid (CID 122117752) is 1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid is Cc1cc(C(=O)N2CC(C)CC(C(=O)O)C2)c2c(C)[nH]nc2n1.
What is the InChIKey of 1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is KNSOKXVELZMDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-8-4-11(16(22)23)7-20(6-8)15(21)12-5-9(2)17-14-13(12)10(3)18-19-14/h5,8,11H,4,6-7H2,1-3H3,(H,22,23)(H,17,18,19).
What are the key properties of 1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid?
1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122117752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).