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

C18H24N4O3 — CID 119349273

IUPAC1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCCC(C)n1ncc2c(C(=O)N3CCC(C(=O)O)CC3)cc(C)nc21
InChIInChI=1S/C18H24N4O3/c1-4-12(3)22-16-15(10-19-22)14(9-11(2)20-16)17(23)21-7-5-13(6-8-21)18(24)25/h9-10,12-13H,4-8H2,1-3H3,(H,24,25)
InChIKeyQBBMZXGIGWCWTM-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.65
Rot. Bonds4

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

1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 119349273) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID119349273
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCCC(C)n1ncc2c(C(=O)N3CCC(C(=O)O)CC3)cc(C)nc21
InChIInChI=1S/C18H24N4O3/c1-4-12(3)22-16-15(10-19-22)14(9-11(2)20-16)17(23)21-7-5-13(6-8-21)18(24)25/h9-10,12-13H,4-8H2,1-3H3,(H,24,25)
InChIKeyQBBMZXGIGWCWTM-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110921318
(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
1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117753
1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 28842366
(2R)-1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537402
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119415093
(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119395659
(4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 75526408
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120745024
[4-(methylaminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 119542694
[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 119409294

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid (CID 119349273) is 1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid is CCC(C)n1ncc2c(C(=O)N3CCC(C(=O)O)CC3)cc(C)nc21.
What is the InChIKey of 1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is QBBMZXGIGWCWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-12(3)22-16-15(10-19-22)14(9-11(2)20-16)17(23)21-7-5-13(6-8-21)18(24)25/h9-10,12-13H,4-8H2,1-3H3,(H,24,25).
What are the key properties of 1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid?
1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 344.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119349273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).