6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

C20H22N4O2 — CID 69186406

IUPAC6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCn1nc(C)c2c(-c3cncc(C)c3)c(C(=O)O)c(C3CCC3)nc21
InChIInChI=1S/C20H22N4O2/c1-4-24-19-15(12(3)23-24)16(14-8-11(2)9-21-10-14)17(20(25)26)18(22-19)13-6-5-7-13/h8-10,13H,4-7H2,1-3H3,(H,25,26)
InChIKeyVLRURTCWBDITOW-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.10
Rot. Bonds4

About 6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 69186406) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID69186406
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCn1nc(C)c2c(-c3cncc(C)c3)c(C(=O)O)c(C3CCC3)nc21
InChIInChI=1S/C20H22N4O2/c1-4-24-19-15(12(3)23-24)16(14-8-11(2)9-21-10-14)17(20(25)26)18(22-19)13-6-5-7-13/h8-10,13H,4-7H2,1-3H3,(H,25,26)
InChIKeyVLRURTCWBDITOW-UHFFFAOYSA-N
XLogP4.10
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid with MolForge

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Related Compounds

6-cyclopropyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2525992
6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
4-[[8-[1-(2-Methylpropyl)-1H-pyrazol-4-yl][1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198979
4-[[8-(1-Propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198994
(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone
CID 16259746
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
4-[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
CID 845965
(1,3-Dimethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone
CID 2125445
ethyl 3-cyclopropyl-1-methyl-4-morpholino-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 2818961
Ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10086715
Benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10428093
4-[[8-(2-Propan-2-yl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199136

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 69186406) is 6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid is CCn1nc(C)c2c(-c3cncc(C)c3)c(C(=O)O)c(C3CCC3)nc21.
What is the InChIKey of 6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is VLRURTCWBDITOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-24-19-15(12(3)23-24)16(14-8-11(2)9-21-10-14)17(20(25)26)18(22-19)13-6-5-7-13/h8-10,13H,4-7H2,1-3H3,(H,25,26).
What are the key properties of 6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-1-ethyl-3-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 69186406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).