7-(4-ethoxyanilino)-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile

C19H18N4O2 — CID 58837594

IUPAC7-(4-ethoxyanilino)-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESC=CCc1c(Nc2ccc(OCC)cc2)n2[nH]ccc2c(C#N)c1=O
InChIInChI=1S/C19H18N4O2/c1-3-5-15-18(24)16(12-20)17-10-11-21-23(17)19(15)22-13-6-8-14(9-7-13)25-4-2/h3,6-11,21-22H,1,4-5H2,2H3
InChIKeyKRFXRDTUEYYNQI-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.37
Rot. Bonds6

About 7-(4-ethoxyanilino)-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile

7-(4-ethoxyanilino)-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 58837594) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 7-(4-ethoxyanilino)-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-(4-ethoxyanilino)-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID58837594
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name7-(4-ethoxyanilino)-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESC=CCc1c(Nc2ccc(OCC)cc2)n2[nH]ccc2c(C#N)c1=O
InChIInChI=1S/C19H18N4O2/c1-3-5-15-18(24)16(12-20)17-10-11-21-23(17)19(15)22-13-6-8-14(9-7-13)25-4-2/h3,6-11,21-22H,1,4-5H2,2H3
InChIKeyKRFXRDTUEYYNQI-UHFFFAOYSA-N
XLogP3.37
TPSA82.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyanilino)-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-(4-ethoxyanilino)-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 58837594) is 7-(4-ethoxyanilino)-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-(4-ethoxyanilino)-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-(4-ethoxyanilino)-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile is C=CCc1c(Nc2ccc(OCC)cc2)n2[nH]ccc2c(C#N)c1=O.
What is the InChIKey of 7-(4-ethoxyanilino)-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is KRFXRDTUEYYNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-3-5-15-18(24)16(12-20)17-10-11-21-23(17)19(15)22-13-6-8-14(9-7-13)25-4-2/h3,6-11,21-22H,1,4-5H2,2H3.
What are the key properties of 7-(4-ethoxyanilino)-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-(4-ethoxyanilino)-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxyanilino)-5-oxo-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 58837594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).