1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid

C14H19N3O3 — CID 115937444

IUPAC1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCC(C)(C)Oc1c(C(=O)O)cnc2c1c(C)nn2C
InChIInChI=1S/C14H19N3O3/c1-6-14(3,4)20-11-9(13(18)19)7-15-12-10(11)8(2)16-17(12)5/h7H,6H2,1-5H3,(H,18,19)
InChIKeyIFHOBPDVJITIEE-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.54
Rot. Bonds4

About 1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid

1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 115937444) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID115937444
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCC(C)(C)Oc1c(C(=O)O)cnc2c1c(C)nn2C
InChIInChI=1S/C14H19N3O3/c1-6-14(3,4)20-11-9(13(18)19)7-15-12-10(11)8(2)16-17(12)5/h7H,6H2,1-5H3,(H,18,19)
InChIKeyIFHOBPDVJITIEE-UHFFFAOYSA-N
XLogP2.54
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937445
1,3-dimethyl-4-prop-2-ynoxypyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 112580943
1,3-dimethyl-4-(2-propoxyethoxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937464
1,3-dimethyl-4-(2-methylpentoxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 103283210
1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 106596785
4-(2,2-dimethylpropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937569
1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 116792570
4-[[2-(dimethylamino)-2-oxoethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937542
4-(3-methoxy-3-oxopropyl)sulfanyl-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937711
4-[2-(2-hydroxyethoxy)ethylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937618
1,3-dimethyl-4-(3-methylbutylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937505
1,3-dimethyl-4-pyridin-4-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937733

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 115937444) is 1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid is CCC(C)(C)Oc1c(C(=O)O)cnc2c1c(C)nn2C.
What is the InChIKey of 1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is IFHOBPDVJITIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-6-14(3,4)20-11-9(13(18)19)7-15-12-10(11)8(2)16-17(12)5/h7H,6H2,1-5H3,(H,18,19).
What are the key properties of 1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 115937444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).