(2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid

C18H24N4O3 — CID 120537402

IUPAC(2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
SMILESCCC(C)n1ncc2c(C(=O)N3CCCC[C@@H]3C(=O)O)cc(C)nc21
InChIInChI=1S/C18H24N4O3/c1-4-12(3)22-16-14(10-19-22)13(9-11(2)20-16)17(23)21-8-6-5-7-15(21)18(24)25/h9-10,12,15H,4-8H2,1-3H3,(H,24,25)/t12?,15-/m1/s1
InChIKeyJGSJQXDYOBQVTM-WPZCJLIBSA-N
MW344.42 g/mol
LogP2.79
Rot. Bonds4

About (2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 120537402) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID120537402
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
SMILESCCC(C)n1ncc2c(C(=O)N3CCCC[C@@H]3C(=O)O)cc(C)nc21
InChIInChI=1S/C18H24N4O3/c1-4-12(3)22-16-14(10-19-22)13(9-11(2)20-16)17(23)21-8-6-5-7-15(21)18(24)25/h9-10,12,15H,4-8H2,1-3H3,(H,24,25)/t12?,15-/m1/s1
InChIKeyJGSJQXDYOBQVTM-WPZCJLIBSA-N
XLogP2.79
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid with MolForge

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Related Compounds

1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 119349273
1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 28842366
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110921318
1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117753
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429817
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560611
(2R)-1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537313
(2R)-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 124682042
(2S)-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 124682044
2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120545797
[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 110887010
1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355904

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid (CID 120537402) is (2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid is CCC(C)n1ncc2c(C(=O)N3CCCC[C@@H]3C(=O)O)cc(C)nc21.
What is the InChIKey of (2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is JGSJQXDYOBQVTM-WPZCJLIBSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-12(3)22-16-14(10-19-22)13(9-11(2)20-16)17(23)21-8-6-5-7-15(21)18(24)25/h9-10,12,15H,4-8H2,1-3H3,(H,24,25)/t12?,15-/m1/s1.
What are the key properties of (2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 344.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 120537402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).