2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile

C19H11F2N5O — CID 166907852

IUPAC2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile
SMILESCn1cc2cc(-n3c(-c4ccc(C#N)c(F)c4)nc(C=O)c3F)ccc2n1
InChIInChI=1S/C19H11F2N5O/c1-25-9-13-6-14(4-5-16(13)24-25)26-18(21)17(10-27)23-19(26)11-2-3-12(8-22)15(20)7-11/h2-7,9-10H,1H3
InChIKeyOGXCCLCKBNIOCX-UHFFFAOYSA-N
MW363.33 g/mol
LogP3.39
Rot. Bonds3

About 2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile

2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile (PubChem CID 166907852) has the molecular formula C19H11F2N5O and a molecular weight of 363.33 g/mol. Its IUPAC name is 2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile
PubChem CID166907852
Molecular FormulaC19H11F2N5O
Molecular Weight363.33 g/mol
Exact Mass363.09
IUPAC Name2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile
SMILESCn1cc2cc(-n3c(-c4ccc(C#N)c(F)c4)nc(C=O)c3F)ccc2n1
InChIInChI=1S/C19H11F2N5O/c1-25-9-13-6-14(4-5-16(13)24-25)26-18(21)17(10-27)23-19(26)11-2-3-12(8-22)15(20)7-11/h2-7,9-10H,1H3
InChIKeyOGXCCLCKBNIOCX-UHFFFAOYSA-N
XLogP3.39
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile 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 2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile?
The IUPAC name of 2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile (CID 166907852) is 2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile is Cn1cc2cc(-n3c(-c4ccc(C#N)c(F)c4)nc(C=O)c3F)ccc2n1.
What is the InChIKey of 2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile?
The InChIKey is OGXCCLCKBNIOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N5O/c1-25-9-13-6-14(4-5-16(13)24-25)26-18(21)17(10-27)23-19(26)11-2-3-12(8-22)15(20)7-11/h2-7,9-10H,1H3.
What are the key properties of 2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile?
2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile has a molecular weight of 363.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[5-fluoro-4-formyl-1-(2-methylindazol-5-yl)imidazol-2-yl]benzonitrile is sourced from PubChem (CID 166907852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).