4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C14H20N4O2 — CID 103462079

IUPAC4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCC(C)(C)CNc1c(C(=O)O)cnc2c1cnn2C
InChIInChI=1S/C14H20N4O2/c1-5-14(2,3)8-16-11-9-7-17-18(4)12(9)15-6-10(11)13(19)20/h6-7H,5,8H2,1-4H3,(H,15,16)(H,19,20)
InChIKeyGQPAJUBJRFNWOR-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.51
Rot. Bonds5

About 4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 103462079) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID103462079
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCC(C)(C)CNc1c(C(=O)O)cnc2c1cnn2C
InChIInChI=1S/C14H20N4O2/c1-5-14(2,3)8-16-11-9-7-17-18(4)12(9)15-6-10(11)13(19)20/h6-7H,5,8H2,1-4H3,(H,15,16)(H,19,20)
InChIKeyGQPAJUBJRFNWOR-UHFFFAOYSA-N
XLogP2.51
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 114942706
4-(2,2-dimethylpropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937569
1-methyl-4-(2-methylbutylsulfanyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 107747320
1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 123677615
1-methyl-4-(3-methylbutan-2-ylsulfanyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 107747253
ethyl 1-methyl-4-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133475737
1-ethyl-4-[[(2S)-3-methylbutan-2-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid;(2S)-3-methylbutan-2-amine
CID 69221780
1-ethyl-4-[[(2R)-3-methylbutan-2-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid;(2R)-3-methylbutan-2-amine
CID 69221425
4-(butylamino)-1-(2-chloro-2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 57447641
1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937444
2,2-dimethyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanoic acid
CID 114285536
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 103462079) is 4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid is CCC(C)(C)CNc1c(C(=O)O)cnc2c1cnn2C.
What is the InChIKey of 4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is GQPAJUBJRFNWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-5-14(2,3)8-16-11-9-7-17-18(4)12(9)15-6-10(11)13(19)20/h6-7H,5,8H2,1-4H3,(H,15,16)(H,19,20).
What are the key properties of 4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 103462079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).