4-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde

C13H16N4O — CID 123229552

IUPAC4-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
SMILESCCn1ncc2c(NC3CCC3)c(C=O)cnc21
InChIInChI=1S/C13H16N4O/c1-2-17-13-11(7-15-17)12(9(8-18)6-14-13)16-10-4-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,16)
InChIKeyURTRCKKBEDTCLR-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.23
Rot. Bonds4

About 4-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde

4-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde (PubChem CID 123229552) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name4-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
PubChem CID123229552
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde
SMILESCCn1ncc2c(NC3CCC3)c(C=O)cnc21
InChIInChI=1S/C13H16N4O/c1-2-17-13-11(7-15-17)12(9(8-18)6-14-13)16-10-4-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,16)
InChIKeyURTRCKKBEDTCLR-UHFFFAOYSA-N
XLogP2.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.23
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-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
The IUPAC name of 4-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde (CID 123229552) is 4-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 4-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
The canonical SMILES for 4-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde is CCn1ncc2c(NC3CCC3)c(C=O)cnc21.
What is the InChIKey of 4-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
The InChIKey is URTRCKKBEDTCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-17-13-11(7-15-17)12(9(8-18)6-14-13)16-10-4-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,16).
What are the key properties of 4-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde?
4-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde has a molecular weight of 244.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 123229552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).