4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde

C12H14N4O — CID 91240893

IUPAC4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde
SMILESCCc1nc2[nH]ncc2c(NC2CC2)c1C=O
InChIInChI=1S/C12H14N4O/c1-2-10-9(6-17)11(14-7-3-4-7)8-5-13-16-12(8)15-10/h5-7H,2-4H2,1H3,(H2,13,14,15,16)
InChIKeyPFAUOKLKBQOGSH-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.91
Rot. Bonds4

About 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde

4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde (PubChem CID 91240893) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde
PubChem CID91240893
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde
SMILESCCc1nc2[nH]ncc2c(NC2CC2)c1C=O
InChIInChI=1S/C12H14N4O/c1-2-10-9(6-17)11(14-7-3-4-7)8-5-13-16-12(8)15-10/h5-7H,2-4H2,1H3,(H2,13,14,15,16)
InChIKeyPFAUOKLKBQOGSH-UHFFFAOYSA-N
XLogP1.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
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 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde?
The IUPAC name of 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde (CID 91240893) is 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde?
The canonical SMILES for 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde is CCc1nc2[nH]ncc2c(NC2CC2)c1C=O.
What is the InChIKey of 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde?
The InChIKey is PFAUOKLKBQOGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-10-9(6-17)11(14-7-3-4-7)8-5-13-16-12(8)15-10/h5-7H,2-4H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde?
4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde has a molecular weight of 230.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 91240893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).