2-cyclopropyl-6-(4-pyridin-3-ylimidazol-1-yl)-4-[4-(trifluoromethyl)phenyl]pyridine

C23H17F3N4 — CID 141185340

IUPAC2-cyclopropyl-6-(4-pyridin-3-ylimidazol-1-yl)-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(C3CC3)nc(-n3cnc(-c4cccnc4)c3)c2)cc1
InChIInChI=1S/C23H17F3N4/c24-23(25,26)19-7-5-15(6-8-19)18-10-20(16-3-4-16)29-22(11-18)30-13-21(28-14-30)17-2-1-9-27-12-17/h1-2,5-14,16H,3-4H2
InChIKeyBCUIKJRBUAJSAJ-UHFFFAOYSA-N
MW406.41 g/mol
LogP5.89
Rot. Bonds4

About 2-cyclopropyl-6-(4-pyridin-3-ylimidazol-1-yl)-4-[4-(trifluoromethyl)phenyl]pyridine

2-cyclopropyl-6-(4-pyridin-3-ylimidazol-1-yl)-4-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 141185340) has the molecular formula C23H17F3N4 and a molecular weight of 406.41 g/mol. Its IUPAC name is 2-cyclopropyl-6-(4-pyridin-3-ylimidazol-1-yl)-4-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-6-(4-pyridin-3-ylimidazol-1-yl)-4-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID141185340
Molecular FormulaC23H17F3N4
Molecular Weight406.41 g/mol
Exact Mass406.14
IUPAC Name2-cyclopropyl-6-(4-pyridin-3-ylimidazol-1-yl)-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(C3CC3)nc(-n3cnc(-c4cccnc4)c3)c2)cc1
InChIInChI=1S/C23H17F3N4/c24-23(25,26)19-7-5-15(6-8-19)18-10-20(16-3-4-16)29-22(11-18)30-13-21(28-14-30)17-2-1-9-27-12-17/h1-2,5-14,16H,3-4H2
InChIKeyBCUIKJRBUAJSAJ-UHFFFAOYSA-N
XLogP5.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(4-pyridin-3-ylimidazol-1-yl)-4-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-cyclopropyl-6-(4-pyridin-3-ylimidazol-1-yl)-4-[4-(trifluoromethyl)phenyl]pyridine (CID 141185340) is 2-cyclopropyl-6-(4-pyridin-3-ylimidazol-1-yl)-4-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-cyclopropyl-6-(4-pyridin-3-ylimidazol-1-yl)-4-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-cyclopropyl-6-(4-pyridin-3-ylimidazol-1-yl)-4-[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2cc(C3CC3)nc(-n3cnc(-c4cccnc4)c3)c2)cc1.
What is the InChIKey of 2-cyclopropyl-6-(4-pyridin-3-ylimidazol-1-yl)-4-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is BCUIKJRBUAJSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4/c24-23(25,26)19-7-5-15(6-8-19)18-10-20(16-3-4-16)29-22(11-18)30-13-21(28-14-30)17-2-1-9-27-12-17/h1-2,5-14,16H,3-4H2.
What are the key properties of 2-cyclopropyl-6-(4-pyridin-3-ylimidazol-1-yl)-4-[4-(trifluoromethyl)phenyl]pyridine?
2-cyclopropyl-6-(4-pyridin-3-ylimidazol-1-yl)-4-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 406.41 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(4-pyridin-3-ylimidazol-1-yl)-4-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 141185340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).