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

C17H16N4O2 — CID 58837587

IUPAC7-(4-ethoxyanilino)-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(=O)c(C#N)c3cc[nH]n23)cc1
InChIInChI=1S/C17H16N4O2/c1-3-23-13-6-4-12(5-7-13)20-17-11(2)16(22)14(10-18)15-8-9-19-21(15)17/h4-9,19-20H,3H2,1-2H3
InChIKeyFMIFSJGPYVJNMY-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.95
Rot. Bonds4

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

7-(4-ethoxyanilino)-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 58837587) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 7-(4-ethoxyanilino)-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-(4-ethoxyanilino)-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID58837587
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name7-(4-ethoxyanilino)-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(=O)c(C#N)c3cc[nH]n23)cc1
InChIInChI=1S/C17H16N4O2/c1-3-23-13-6-4-12(5-7-13)20-17-11(2)16(22)14(10-18)15-8-9-19-21(15)17/h4-9,19-20H,3H2,1-2H3
InChIKeyFMIFSJGPYVJNMY-UHFFFAOYSA-N
XLogP2.95
TPSA82.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyanilino)-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-(4-ethoxyanilino)-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 58837587) is 7-(4-ethoxyanilino)-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-(4-ethoxyanilino)-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-(4-ethoxyanilino)-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(C)c(=O)c(C#N)c3cc[nH]n23)cc1.
What is the InChIKey of 7-(4-ethoxyanilino)-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is FMIFSJGPYVJNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-3-23-13-6-4-12(5-7-13)20-17-11(2)16(22)14(10-18)15-8-9-19-21(15)17/h4-9,19-20H,3H2,1-2H3.
What are the key properties of 7-(4-ethoxyanilino)-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-(4-ethoxyanilino)-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 308.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxyanilino)-6-methyl-5-oxo-1H-pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 58837587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).