1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine

C10H13N3O — CID 126563156

IUPAC1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine
SMILESCC(C)Oc1cnc2c(cnn2C)c1
InChIInChI=1S/C10H13N3O/c1-7(2)14-9-4-8-5-12-13(3)10(8)11-6-9/h4-7H,1-3H3
InChIKeyAPYNAJRNIUFWHT-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.76
Rot. Bonds2

About 1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine

1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine (PubChem CID 126563156) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine
PubChem CID126563156
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine
SMILESCC(C)Oc1cnc2c(cnn2C)c1
InChIInChI=1S/C10H13N3O/c1-7(2)14-9-4-8-5-12-13(3)10(8)11-6-9/h4-7H,1-3H3
InChIKeyAPYNAJRNIUFWHT-UHFFFAOYSA-N
XLogP1.76
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine?
The IUPAC name of 1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine (CID 126563156) is 1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine is CC(C)Oc1cnc2c(cnn2C)c1.
What is the InChIKey of 1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine?
The InChIKey is APYNAJRNIUFWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(2)14-9-4-8-5-12-13(3)10(8)11-6-9/h4-7H,1-3H3.
What are the key properties of 1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine?
1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine has a molecular weight of 191.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine is sourced from PubChem (CID 126563156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).