3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine-5-carboxylic acid

C12H15N3O2 — CID 16773438

IUPAC3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCn1nc(C(C)(C)C)c2cc(C(=O)O)cnc21
InChIInChI=1S/C12H15N3O2/c1-12(2,3)9-8-5-7(11(16)17)6-13-10(8)15(4)14-9/h5-6H,1-4H3,(H,16,17)
InChIKeyGQDZSSODSXPNQY-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.96
Rot. Bonds1

About 3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine-5-carboxylic acid

3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 16773438) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID16773438
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCn1nc(C(C)(C)C)c2cc(C(=O)O)cnc21
InChIInChI=1S/C12H15N3O2/c1-12(2,3)9-8-5-7(11(16)17)6-13-10(8)15(4)14-9/h5-6H,1-4H3,(H,16,17)
InChIKeyGQDZSSODSXPNQY-UHFFFAOYSA-N
XLogP1.96
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
1-cyclopentyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16774180
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
(1,3-Dimethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 4884002
Prop-2-enyl 4-amino-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10355880
Benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10428093
Prop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10446704
Prop-2-enyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10469381
ethyl 4-chloro-1-ethyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1473447
1,6-diisopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2466731

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine-5-carboxylic acid (CID 16773438) is 3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine-5-carboxylic acid is Cn1nc(C(C)(C)C)c2cc(C(=O)O)cnc21.
What is the InChIKey of 3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is GQDZSSODSXPNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,3)9-8-5-7(11(16)17)6-13-10(8)15(4)14-9/h5-6H,1-4H3,(H,16,17).
What are the key properties of 3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine-5-carboxylic acid?
3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 16773438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).