(1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone

C17H24N4O — CID 35533542

IUPAC(1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCCn1nc(C)c2c(C(=O)N3CCC(C)CC3)cc(C)nc21
InChIInChI=1S/C17H24N4O/c1-5-21-16-15(13(4)19-21)14(10-12(3)18-16)17(22)20-8-6-11(2)7-9-20/h10-11H,5-9H2,1-4H3
InChIKeyWZRRKMXLSNNMJG-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.94
Rot. Bonds2

About (1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone

(1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 35533542) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID35533542
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCCn1nc(C)c2c(C(=O)N3CCC(C)CC3)cc(C)nc21
InChIInChI=1S/C17H24N4O/c1-5-21-16-15(13(4)19-21)14(10-12(3)18-16)17(22)20-8-6-11(2)7-9-20/h10-11H,5-9H2,1-4H3
InChIKeyWZRRKMXLSNNMJG-UHFFFAOYSA-N
XLogP2.94
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 35522197
ethyl 1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate
CID 30755393
(1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 42656730
[1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 44821512
[(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 111561787
azepan-1-yl-[1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 35430308
piperidin-1-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16620882
(3R,4R)-4-hydroxy-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 165423721
1-ethyl-3,6-dimethyl-N-propylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35532740
(4-cyclopentylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 56811591
1-[2-(cyclopropylamino)-2-oxoethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25247585
(3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 92665225

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone (CID 35533542) is (1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone is CCn1nc(C)c2c(C(=O)N3CCC(C)CC3)cc(C)nc21.
What is the InChIKey of (1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is WZRRKMXLSNNMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-5-21-16-15(13(4)19-21)14(10-12(3)18-16)17(22)20-8-6-11(2)7-9-20/h10-11H,5-9H2,1-4H3.
What are the key properties of (1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone?
(1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 300.41 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 35533542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).