4-(3,4-dimethylindazol-1-yl)-2-(methylamino)benzonitrile

C17H16N4 — CID 91177727

IUPAC4-(3,4-dimethylindazol-1-yl)-2-(methylamino)benzonitrile
SMILESCNc1cc(-n2nc(C)c3c(C)cccc32)ccc1C#N
InChIInChI=1S/C17H16N4/c1-11-5-4-6-16-17(11)12(2)20-21(16)14-8-7-13(10-18)15(9-14)19-3/h4-9,19H,1-3H3
InChIKeyPDPRRADKOSXTDK-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.56
Rot. Bonds2

About 4-(3,4-dimethylindazol-1-yl)-2-(methylamino)benzonitrile

4-(3,4-dimethylindazol-1-yl)-2-(methylamino)benzonitrile (PubChem CID 91177727) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(3,4-dimethylindazol-1-yl)-2-(methylamino)benzonitrile.

Molecular Properties

Compound Name4-(3,4-dimethylindazol-1-yl)-2-(methylamino)benzonitrile
PubChem CID91177727
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name4-(3,4-dimethylindazol-1-yl)-2-(methylamino)benzonitrile
SMILESCNc1cc(-n2nc(C)c3c(C)cccc32)ccc1C#N
InChIInChI=1S/C17H16N4/c1-11-5-4-6-16-17(11)12(2)20-21(16)14-8-7-13(10-18)15(9-14)19-3/h4-9,19H,1-3H3
InChIKeyPDPRRADKOSXTDK-UHFFFAOYSA-N
XLogP3.56
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dimethylindazol-1-yl)-2-(methylamino)benzonitrile 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

2-(methylamino)-4-(3,6,6-trimethyl-4-oxo-5H-pyrano[3,2-d]pyrazol-1-yl)benzonitrile
CID 59725773
4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile
CID 66680661
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile
CID 81281768
4-bromo-2-(methylamino)benzonitrile
CID 24903089
5-amino-1-[4-cyano-3-(oxan-4-ylamino)phenyl]-3-methylpyrazole-4-carbonitrile
CID 25051244
2-[(4-hydroxycyclohexyl)amino]-4-[3-(trifluoromethyl)indazol-1-yl]benzonitrile
CID 141281123
3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile
CID 45123383
2-chloro-4-(4-hydroxy-3,5-dimethylpyrazol-1-yl)benzonitrile
CID 68967000
2-methyl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzonitrile
CID 118214926
4-methyl-7-(methylamino)-1H-indole-3-carbonitrile
CID 139366191
2-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877501
2-[1-(4-cyano-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 81276261

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylindazol-1-yl)-2-(methylamino)benzonitrile?
The IUPAC name of 4-(3,4-dimethylindazol-1-yl)-2-(methylamino)benzonitrile (CID 91177727) is 4-(3,4-dimethylindazol-1-yl)-2-(methylamino)benzonitrile.
What is the SMILES notation for 4-(3,4-dimethylindazol-1-yl)-2-(methylamino)benzonitrile?
The canonical SMILES for 4-(3,4-dimethylindazol-1-yl)-2-(methylamino)benzonitrile is CNc1cc(-n2nc(C)c3c(C)cccc32)ccc1C#N.
What is the InChIKey of 4-(3,4-dimethylindazol-1-yl)-2-(methylamino)benzonitrile?
The InChIKey is PDPRRADKOSXTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-11-5-4-6-16-17(11)12(2)20-21(16)14-8-7-13(10-18)15(9-14)19-3/h4-9,19H,1-3H3.
What are the key properties of 4-(3,4-dimethylindazol-1-yl)-2-(methylamino)benzonitrile?
4-(3,4-dimethylindazol-1-yl)-2-(methylamino)benzonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylindazol-1-yl)-2-(methylamino)benzonitrile is sourced from PubChem (CID 91177727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).