4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile

C19H9F4N5 — CID 10134544

IUPAC4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(F)cc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1
InChIInChI=1S/C19H9F4N5/c20-12-5-4-11(9-24)13(8-12)14-2-1-3-15(26-14)16-10-25-18-27-17(19(21,22)23)6-7-28(16)18/h1-8,10H
InChIKeyCMIUXHFGZBDSDR-UHFFFAOYSA-N
MW383.31 g/mol
LogP4.49
Rot. Bonds2

About 4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile

4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile (PubChem CID 10134544) has the molecular formula C19H9F4N5 and a molecular weight of 383.31 g/mol. Its IUPAC name is 4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile
PubChem CID10134544
Molecular FormulaC19H9F4N5
Molecular Weight383.31 g/mol
Exact Mass383.08
IUPAC Name4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(F)cc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1
InChIInChI=1S/C19H9F4N5/c20-12-5-4-11(9-24)13(8-12)14-2-1-3-15(26-14)16-10-25-18-27-17(19(21,22)23)6-7-28(16)18/h1-8,10H
InChIKeyCMIUXHFGZBDSDR-UHFFFAOYSA-N
XLogP4.49
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]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 4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile?
The IUPAC name of 4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile (CID 10134544) is 4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile is N#Cc1ccc(F)cc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1.
What is the InChIKey of 4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile?
The InChIKey is CMIUXHFGZBDSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F4N5/c20-12-5-4-11(9-24)13(8-12)14-2-1-3-15(26-14)16-10-25-18-27-17(19(21,22)23)6-7-28(16)18/h1-8,10H.
What are the key properties of 4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile?
4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile has a molecular weight of 383.31 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile is sourced from PubChem (CID 10134544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).