2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde

C14H11N3O — CID 164915849

IUPAC2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde
SMILESCn1nc(-c2ccccc2C=O)c2cccnc21
InChIInChI=1S/C14H11N3O/c1-17-14-12(7-4-8-15-14)13(16-17)11-6-3-2-5-10(11)9-18/h2-9H,1H3
InChIKeyXSQTXCSXFWEFON-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.45
Rot. Bonds2

About 2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde

2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde (PubChem CID 164915849) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde.

Molecular Properties

Compound Name2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde
PubChem CID164915849
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde
SMILESCn1nc(-c2ccccc2C=O)c2cccnc21
InChIInChI=1S/C14H11N3O/c1-17-14-12(7-4-8-15-14)13(16-17)11-6-3-2-5-10(11)9-18/h2-9H,1H3
InChIKeyXSQTXCSXFWEFON-UHFFFAOYSA-N
XLogP2.45
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
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 2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde?
The IUPAC name of 2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde (CID 164915849) is 2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde.
What is the SMILES notation for 2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde?
The canonical SMILES for 2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde is Cn1nc(-c2ccccc2C=O)c2cccnc21.
What is the InChIKey of 2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde?
The InChIKey is XSQTXCSXFWEFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-17-14-12(7-4-8-15-14)13(16-17)11-6-3-2-5-10(11)9-18/h2-9H,1H3.
What are the key properties of 2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde?
2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde has a molecular weight of 237.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde is sourced from PubChem (CID 164915849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).