1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid

C13H13N5O3 — CID 116792570

IUPAC1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(Oc3cnn(C)c3)c12
InChIInChI=1S/C13H13N5O3/c1-7-10-11(21-8-4-15-17(2)6-8)9(13(19)20)5-14-12(10)18(3)16-7/h4-6H,1-3H3,(H,19,20)
InChIKeyHZEPWQPHRKKAKH-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.50
Rot. Bonds3

About 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid

1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 116792570) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID116792570
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(Oc3cnn(C)c3)c12
InChIInChI=1S/C13H13N5O3/c1-7-10-11(21-8-4-15-17(2)6-8)9(13(19)20)5-14-12(10)18(3)16-7/h4-6H,1-3H3,(H,19,20)
InChIKeyHZEPWQPHRKKAKH-UHFFFAOYSA-N
XLogP1.50
TPSA95.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 116792570) is 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nn(C)c2ncc(C(=O)O)c(Oc3cnn(C)c3)c12.
What is the InChIKey of 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is HZEPWQPHRKKAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-7-10-11(21-8-4-15-17(2)6-8)9(13(19)20)5-14-12(10)18(3)16-7/h4-6H,1-3H3,(H,19,20).
What are the key properties of 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid?
1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 116792570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).