1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde

C19H17N5O2 — CID 87726959

IUPAC1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde
SMILESCCn1ncc2c(-c3cncc(C)c3)c(C=O)c(-c3cc(C)on3)nc21
InChIInChI=1S/C19H17N5O2/c1-4-24-19-14(9-21-24)17(13-5-11(2)7-20-8-13)15(10-25)18(22-19)16-6-12(3)26-23-16/h5-10H,4H2,1-3H3
InChIKeyXZIALUKELXBRTK-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.60
Rot. Bonds4

About 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde

1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde (PubChem CID 87726959) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde
PubChem CID87726959
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde
SMILESCCn1ncc2c(-c3cncc(C)c3)c(C=O)c(-c3cc(C)on3)nc21
InChIInChI=1S/C19H17N5O2/c1-4-24-19-14(9-21-24)17(13-5-11(2)7-20-8-13)15(10-25)18(22-19)16-6-12(3)26-23-16/h5-10H,4H2,1-3H3
InChIKeyXZIALUKELXBRTK-UHFFFAOYSA-N
XLogP3.60
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde?
The IUPAC name of 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde (CID 87726959) is 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde?
The canonical SMILES for 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde is CCn1ncc2c(-c3cncc(C)c3)c(C=O)c(-c3cc(C)on3)nc21.
What is the InChIKey of 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde?
The InChIKey is XZIALUKELXBRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-4-24-19-14(9-21-24)17(13-5-11(2)7-20-8-13)15(10-25)18(22-19)16-6-12(3)26-23-16/h5-10H,4H2,1-3H3.
What are the key properties of 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde?
1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde has a molecular weight of 347.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 87726959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).