4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde

C12H14N4O — CID 87248039

IUPAC4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
SMILESCc1nn(C)c2ncc(C=O)c(NC3CC3)c12
InChIInChI=1S/C12H14N4O/c1-7-10-11(14-9-3-4-9)8(6-17)5-13-12(10)16(2)15-7/h5-6,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyCDRHNHQMGFPYTA-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.66
Rot. Bonds3

About 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde

4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde (PubChem CID 87248039) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
PubChem CID87248039
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
SMILESCc1nn(C)c2ncc(C=O)c(NC3CC3)c12
InChIInChI=1S/C12H14N4O/c1-7-10-11(14-9-3-4-9)8(6-17)5-13-12(10)16(2)15-7/h5-6,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyCDRHNHQMGFPYTA-UHFFFAOYSA-N
XLogP1.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
The IUPAC name of 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde (CID 87248039) is 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
The canonical SMILES for 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde is Cc1nn(C)c2ncc(C=O)c(NC3CC3)c12.
What is the InChIKey of 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
The InChIKey is CDRHNHQMGFPYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-10-11(14-9-3-4-9)8(6-17)5-13-12(10)16(2)15-7/h5-6,9H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde has a molecular weight of 230.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 87248039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).