5-[(1-ethoxy-3-oxoindazol-2-yl)methyl]pyridine-3-carbonitrile

C16H14N4O2 — CID 19805530

IUPAC5-[(1-ethoxy-3-oxoindazol-2-yl)methyl]pyridine-3-carbonitrile
SMILESCCOn1c2ccccc2c(=O)n1Cc1cncc(C#N)c1
InChIInChI=1S/C16H14N4O2/c1-2-22-20-15-6-4-3-5-14(15)16(21)19(20)11-13-7-12(8-17)9-18-10-13/h3-7,9-10H,2,11H2,1H3
InChIKeyGQPWTEYTVIYLTO-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.57
Rot. Bonds4

About 5-[(1-ethoxy-3-oxoindazol-2-yl)methyl]pyridine-3-carbonitrile

5-[(1-ethoxy-3-oxoindazol-2-yl)methyl]pyridine-3-carbonitrile (PubChem CID 19805530) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[(1-ethoxy-3-oxoindazol-2-yl)methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(1-ethoxy-3-oxoindazol-2-yl)methyl]pyridine-3-carbonitrile
PubChem CID19805530
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-[(1-ethoxy-3-oxoindazol-2-yl)methyl]pyridine-3-carbonitrile
SMILESCCOn1c2ccccc2c(=O)n1Cc1cncc(C#N)c1
InChIInChI=1S/C16H14N4O2/c1-2-22-20-15-6-4-3-5-14(15)16(21)19(20)11-13-7-12(8-17)9-18-10-13/h3-7,9-10H,2,11H2,1H3
InChIKeyGQPWTEYTVIYLTO-UHFFFAOYSA-N
XLogP1.57
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(1-ethoxy-3-oxoindazol-2-yl)methyl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethoxy-3-oxoindazol-2-yl)methyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[(1-ethoxy-3-oxoindazol-2-yl)methyl]pyridine-3-carbonitrile (CID 19805530) is 5-[(1-ethoxy-3-oxoindazol-2-yl)methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(1-ethoxy-3-oxoindazol-2-yl)methyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(1-ethoxy-3-oxoindazol-2-yl)methyl]pyridine-3-carbonitrile is CCOn1c2ccccc2c(=O)n1Cc1cncc(C#N)c1.
What is the InChIKey of 5-[(1-ethoxy-3-oxoindazol-2-yl)methyl]pyridine-3-carbonitrile?
The InChIKey is GQPWTEYTVIYLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-2-22-20-15-6-4-3-5-14(15)16(21)19(20)11-13-7-12(8-17)9-18-10-13/h3-7,9-10H,2,11H2,1H3.
What are the key properties of 5-[(1-ethoxy-3-oxoindazol-2-yl)methyl]pyridine-3-carbonitrile?
5-[(1-ethoxy-3-oxoindazol-2-yl)methyl]pyridine-3-carbonitrile has a molecular weight of 294.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethoxy-3-oxoindazol-2-yl)methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 19805530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).