1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbaldehyde

C11H13N3O — CID 119053903

IUPAC1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbaldehyde
SMILESCC(C)c1cc(C=O)c2cnn(C)c2n1
InChIInChI=1S/C11H13N3O/c1-7(2)10-4-8(6-15)9-5-12-14(3)11(9)13-10/h4-7H,1-3H3
InChIKeySUXLODYDOZTLLM-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.90
Rot. Bonds2

About 1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbaldehyde

1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbaldehyde (PubChem CID 119053903) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbaldehyde
PubChem CID119053903
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbaldehyde
SMILESCC(C)c1cc(C=O)c2cnn(C)c2n1
InChIInChI=1S/C11H13N3O/c1-7(2)10-4-8(6-15)9-5-12-14(3)11(9)13-10/h4-7H,1-3H3
InChIKeySUXLODYDOZTLLM-UHFFFAOYSA-N
XLogP1.90
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbaldehyde?
The IUPAC name of 1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbaldehyde (CID 119053903) is 1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbaldehyde.
What is the SMILES notation for 1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbaldehyde?
The canonical SMILES for 1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbaldehyde is CC(C)c1cc(C=O)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbaldehyde?
The InChIKey is SUXLODYDOZTLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7(2)10-4-8(6-15)9-5-12-14(3)11(9)13-10/h4-7H,1-3H3.
What are the key properties of 1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbaldehyde?
1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbaldehyde has a molecular weight of 203.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbaldehyde is sourced from PubChem (CID 119053903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).