1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C15H21N3O2 — CID 104708905

IUPAC1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCCCn1ncc2c(C(=O)O)cc(C(C)(C)C)nc21
InChIInChI=1S/C15H21N3O2/c1-5-6-7-18-13-11(9-16-18)10(14(19)20)8-12(17-13)15(2,3)4/h8-9H,5-7H2,1-4H3,(H,19,20)
InChIKeyNCFVUCAELBFNDZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.23
Rot. Bonds4

About 1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid

1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 104708905) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID104708905
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCCCn1ncc2c(C(=O)O)cc(C(C)(C)C)nc21
InChIInChI=1S/C15H21N3O2/c1-5-6-7-18-13-11(9-16-18)10(14(19)20)8-12(17-13)15(2,3)4/h8-9H,5-7H2,1-4H3,(H,19,20)
InChIKeyNCFVUCAELBFNDZ-UHFFFAOYSA-N
XLogP3.23
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 19620000
6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 115571620
(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 134799704
1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 102941807
1-propyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 60985297
1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 165460221
2-butyl-6-tert-butyl-3-oxopyridazine-4-carbonyl chloride
CID 82443711
1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid
CID 69159846
2-butyl-5-oxo-3-propylpyridazine-4-carboxylic acid
CID 70450413
2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid
CID 55032246
1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 113220360
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 104708905) is 1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid is CCCCn1ncc2c(C(=O)O)cc(C(C)(C)C)nc21.
What is the InChIKey of 1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is NCFVUCAELBFNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-6-7-18-13-11(9-16-18)10(14(19)20)8-12(17-13)15(2,3)4/h8-9H,5-7H2,1-4H3,(H,19,20).
What are the key properties of 1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 104708905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).