4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile

C16H16N4O — CID 15358374

IUPAC4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile
SMILESCCOC1=C(C#N)CCc2c1c(C)nn2-c1ccccn1
InChIInChI=1S/C16H16N4O/c1-3-21-16-12(10-17)7-8-13-15(16)11(2)19-20(13)14-6-4-5-9-18-14/h4-6,9H,3,7-8H2,1-2H3
InChIKeyRKIIXFXXFZIJMM-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.79
Rot. Bonds3

About 4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile

4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile (PubChem CID 15358374) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile.

Molecular Properties

Compound Name4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile
PubChem CID15358374
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile
SMILESCCOC1=C(C#N)CCc2c1c(C)nn2-c1ccccn1
InChIInChI=1S/C16H16N4O/c1-3-21-16-12(10-17)7-8-13-15(16)11(2)19-20(13)14-6-4-5-9-18-14/h4-6,9H,3,7-8H2,1-2H3
InChIKeyRKIIXFXXFZIJMM-UHFFFAOYSA-N
XLogP2.79
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

ethyl (Z)-3-(4-chloro-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-5-yl)-2-cyanoprop-2-enoate
CID 155979895
(5Z)-3-methyl-5-[(4-nitroanilino)methylidene]-1-pyridin-2-yl-6,7-dihydroindazol-4-one
CID 5293385
2-(3-ethoxy-5-methylpyrazol-1-yl)pyridine
CID 101498728
3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 22732861
5-ethyl-3-methyl-1-pyridin-2-ylpyrazol-4-ol
CID 90747187
(6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 675383
3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol
CID 97179619
5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 82072302
N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine
CID 991147
ethyl 4-(aminomethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 82593396
3-tert-butyl-1-pyridin-2-ylpyrazole-5-carbonitrile
CID 58093568
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90508074

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile?
The IUPAC name of 4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile (CID 15358374) is 4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile.
What is the SMILES notation for 4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile?
The canonical SMILES for 4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile is CCOC1=C(C#N)CCc2c1c(C)nn2-c1ccccn1.
What is the InChIKey of 4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile?
The InChIKey is RKIIXFXXFZIJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-3-21-16-12(10-17)7-8-13-15(16)11(2)19-20(13)14-6-4-5-9-18-14/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile?
4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile is sourced from PubChem (CID 15358374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).