7-amino-1-(4-fluoro-3-methylphenyl)-2-methylindole-3-carbonitrile

C17H14FN3 — CID 156877350

IUPAC7-amino-1-(4-fluoro-3-methylphenyl)-2-methylindole-3-carbonitrile
SMILESCc1cc(-n2c(C)c(C#N)c3cccc(N)c32)ccc1F
InChIInChI=1S/C17H14FN3/c1-10-8-12(6-7-15(10)18)21-11(2)14(9-19)13-4-3-5-16(20)17(13)21/h3-8H,20H2,1-2H3
InChIKeyPPPRHNGWAQJJTF-UHFFFAOYSA-N
MW279.32 g/mol
LogP3.84
Rot. Bonds1

About 7-amino-1-(4-fluoro-3-methylphenyl)-2-methylindole-3-carbonitrile

7-amino-1-(4-fluoro-3-methylphenyl)-2-methylindole-3-carbonitrile (PubChem CID 156877350) has the molecular formula C17H14FN3 and a molecular weight of 279.32 g/mol. Its IUPAC name is 7-amino-1-(4-fluoro-3-methylphenyl)-2-methylindole-3-carbonitrile.

Molecular Properties

Compound Name7-amino-1-(4-fluoro-3-methylphenyl)-2-methylindole-3-carbonitrile
PubChem CID156877350
Molecular FormulaC17H14FN3
Molecular Weight279.32 g/mol
Exact Mass279.12
IUPAC Name7-amino-1-(4-fluoro-3-methylphenyl)-2-methylindole-3-carbonitrile
SMILESCc1cc(-n2c(C)c(C#N)c3cccc(N)c32)ccc1F
InChIInChI=1S/C17H14FN3/c1-10-8-12(6-7-15(10)18)21-11(2)14(9-19)13-4-3-5-16(20)17(13)21/h3-8H,20H2,1-2H3
InChIKeyPPPRHNGWAQJJTF-UHFFFAOYSA-N
XLogP3.84
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-amino-1-(4-fluoro-3-methylphenyl)-2-methylindole-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 7-amino-1-(4-fluoro-3-methylphenyl)-2-methylindole-3-carbonitrile?
The IUPAC name of 7-amino-1-(4-fluoro-3-methylphenyl)-2-methylindole-3-carbonitrile (CID 156877350) is 7-amino-1-(4-fluoro-3-methylphenyl)-2-methylindole-3-carbonitrile.
What is the SMILES notation for 7-amino-1-(4-fluoro-3-methylphenyl)-2-methylindole-3-carbonitrile?
The canonical SMILES for 7-amino-1-(4-fluoro-3-methylphenyl)-2-methylindole-3-carbonitrile is Cc1cc(-n2c(C)c(C#N)c3cccc(N)c32)ccc1F.
What is the InChIKey of 7-amino-1-(4-fluoro-3-methylphenyl)-2-methylindole-3-carbonitrile?
The InChIKey is PPPRHNGWAQJJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3/c1-10-8-12(6-7-15(10)18)21-11(2)14(9-19)13-4-3-5-16(20)17(13)21/h3-8H,20H2,1-2H3.
What are the key properties of 7-amino-1-(4-fluoro-3-methylphenyl)-2-methylindole-3-carbonitrile?
7-amino-1-(4-fluoro-3-methylphenyl)-2-methylindole-3-carbonitrile has a molecular weight of 279.32 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(4-fluoro-3-methylphenyl)-2-methylindole-3-carbonitrile is sourced from PubChem (CID 156877350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).