5-(5-methoxypyrazolo[1,5-a]pyridin-6-yl)thiophene-2-carbaldehyde

C13H10N2O2S — CID 178132878

IUPAC5-(5-methoxypyrazolo[1,5-a]pyridin-6-yl)thiophene-2-carbaldehyde
SMILESCOc1cc2ccnn2cc1-c1ccc(C=O)s1
InChIInChI=1S/C13H10N2O2S/c1-17-12-6-9-4-5-14-15(9)7-11(12)13-3-2-10(8-16)18-13/h2-8H,1H3
InChIKeyXHYHKRMNOUEEMM-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.88
Rot. Bonds3

About 5-(5-methoxypyrazolo[1,5-a]pyridin-6-yl)thiophene-2-carbaldehyde

5-(5-methoxypyrazolo[1,5-a]pyridin-6-yl)thiophene-2-carbaldehyde (PubChem CID 178132878) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-(5-methoxypyrazolo[1,5-a]pyridin-6-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-methoxypyrazolo[1,5-a]pyridin-6-yl)thiophene-2-carbaldehyde
PubChem CID178132878
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name5-(5-methoxypyrazolo[1,5-a]pyridin-6-yl)thiophene-2-carbaldehyde
SMILESCOc1cc2ccnn2cc1-c1ccc(C=O)s1
InChIInChI=1S/C13H10N2O2S/c1-17-12-6-9-4-5-14-15(9)7-11(12)13-3-2-10(8-16)18-13/h2-8H,1H3
InChIKeyXHYHKRMNOUEEMM-UHFFFAOYSA-N
XLogP2.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.88
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 5-(5-methoxypyrazolo[1,5-a]pyridin-6-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(5-methoxypyrazolo[1,5-a]pyridin-6-yl)thiophene-2-carbaldehyde (CID 178132878) is 5-(5-methoxypyrazolo[1,5-a]pyridin-6-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(5-methoxypyrazolo[1,5-a]pyridin-6-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(5-methoxypyrazolo[1,5-a]pyridin-6-yl)thiophene-2-carbaldehyde is COc1cc2ccnn2cc1-c1ccc(C=O)s1.
What is the InChIKey of 5-(5-methoxypyrazolo[1,5-a]pyridin-6-yl)thiophene-2-carbaldehyde?
The InChIKey is XHYHKRMNOUEEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-17-12-6-9-4-5-14-15(9)7-11(12)13-3-2-10(8-16)18-13/h2-8H,1H3.
What are the key properties of 5-(5-methoxypyrazolo[1,5-a]pyridin-6-yl)thiophene-2-carbaldehyde?
5-(5-methoxypyrazolo[1,5-a]pyridin-6-yl)thiophene-2-carbaldehyde has a molecular weight of 258.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxypyrazolo[1,5-a]pyridin-6-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 178132878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).