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

C14H18N4O — CID 87129295

IUPAC4-(cyclopentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
SMILESCc1nn(C)c2ncc(C=O)c(NC3CCCC3)c12
InChIInChI=1S/C14H18N4O/c1-9-12-13(16-11-5-3-4-6-11)10(8-19)7-15-14(12)18(2)17-9/h7-8,11H,3-6H2,1-2H3,(H,15,16)
InChIKeyMGPYMZKLEXKZHF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.44
Rot. Bonds3

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

4-(cyclopentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde (PubChem CID 87129295) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(cyclopentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name4-(cyclopentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
PubChem CID87129295
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-(cyclopentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
SMILESCc1nn(C)c2ncc(C=O)c(NC3CCCC3)c12
InChIInChI=1S/C14H18N4O/c1-9-12-13(16-11-5-3-4-6-11)10(8-19)7-15-14(12)18(2)17-9/h7-8,11H,3-6H2,1-2H3,(H,15,16)
InChIKeyMGPYMZKLEXKZHF-UHFFFAOYSA-N
XLogP2.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(cyclopentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
The IUPAC name of 4-(cyclopentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde (CID 87129295) is 4-(cyclopentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 4-(cyclopentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
The canonical SMILES for 4-(cyclopentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde is Cc1nn(C)c2ncc(C=O)c(NC3CCCC3)c12.
What is the InChIKey of 4-(cyclopentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
The InChIKey is MGPYMZKLEXKZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-12-13(16-11-5-3-4-6-11)10(8-19)7-15-14(12)18(2)17-9/h7-8,11H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-(cyclopentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
4-(cyclopentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde has a molecular weight of 258.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 87129295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).