1-(6-fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-5-carbonitrile

C17H13FN4O — CID 118442297

IUPAC1-(6-fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-5-carbonitrile
SMILESCC(C)C(=O)c1cn(-c2ccc(F)nn2)c2ccc(C#N)cc12
InChIInChI=1S/C17H13FN4O/c1-10(2)17(23)13-9-22(16-6-5-15(18)20-21-16)14-4-3-11(8-19)7-12(13)14/h3-7,9-10H,1-2H3
InChIKeyVHUUUBCPSDYIGH-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.27
Rot. Bonds3

About 1-(6-fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-5-carbonitrile

1-(6-fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-5-carbonitrile (PubChem CID 118442297) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 1-(6-fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-5-carbonitrile.

Molecular Properties

Compound Name1-(6-fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-5-carbonitrile
PubChem CID118442297
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name1-(6-fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-5-carbonitrile
SMILESCC(C)C(=O)c1cn(-c2ccc(F)nn2)c2ccc(C#N)cc12
InChIInChI=1S/C17H13FN4O/c1-10(2)17(23)13-9-22(16-6-5-15(18)20-21-16)14-4-3-11(8-19)7-12(13)14/h3-7,9-10H,1-2H3
InChIKeyVHUUUBCPSDYIGH-UHFFFAOYSA-N
XLogP3.27
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(6-fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-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

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-5-carbonitrile?
The IUPAC name of 1-(6-fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-5-carbonitrile (CID 118442297) is 1-(6-fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-5-carbonitrile.
What is the SMILES notation for 1-(6-fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-5-carbonitrile?
The canonical SMILES for 1-(6-fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-5-carbonitrile is CC(C)C(=O)c1cn(-c2ccc(F)nn2)c2ccc(C#N)cc12.
What is the InChIKey of 1-(6-fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-5-carbonitrile?
The InChIKey is VHUUUBCPSDYIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c1-10(2)17(23)13-9-22(16-6-5-15(18)20-21-16)14-4-3-11(8-19)7-12(13)14/h3-7,9-10H,1-2H3.
What are the key properties of 1-(6-fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-5-carbonitrile?
1-(6-fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-5-carbonitrile has a molecular weight of 308.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoropyridazin-3-yl)-3-(2-methylpropanoyl)indole-5-carbonitrile is sourced from PubChem (CID 118442297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).