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

C16H16N4O — CID 87726070

IUPAC1-ethyl-6-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde
SMILESCCn1ncc2c(-c3cncc(C)c3)c(C=O)c(C)nc21
InChIInChI=1S/C16H16N4O/c1-4-20-16-13(8-18-20)15(14(9-21)11(3)19-16)12-5-10(2)6-17-7-12/h5-9H,4H2,1-3H3
InChIKeyOBRPLBFRYSNZAN-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.94
Rot. Bonds3

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

1-ethyl-6-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde (PubChem CID 87726070) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-ethyl-6-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-6-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde
PubChem CID87726070
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-ethyl-6-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde
SMILESCCn1ncc2c(-c3cncc(C)c3)c(C=O)c(C)nc21
InChIInChI=1S/C16H16N4O/c1-4-20-16-13(8-18-20)15(14(9-21)11(3)19-16)12-5-10(2)6-17-7-12/h5-9H,4H2,1-3H3
InChIKeyOBRPLBFRYSNZAN-UHFFFAOYSA-N
XLogP2.94
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
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 1-ethyl-6-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde?
The IUPAC name of 1-ethyl-6-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde (CID 87726070) is 1-ethyl-6-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 1-ethyl-6-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde?
The canonical SMILES for 1-ethyl-6-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde is CCn1ncc2c(-c3cncc(C)c3)c(C=O)c(C)nc21.
What is the InChIKey of 1-ethyl-6-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde?
The InChIKey is OBRPLBFRYSNZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-4-20-16-13(8-18-20)15(14(9-21)11(3)19-16)12-5-10(2)6-17-7-12/h5-9H,4H2,1-3H3.
What are the key properties of 1-ethyl-6-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde?
1-ethyl-6-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde has a molecular weight of 280.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 87726070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).