2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine

C20H16F4N6O — CID 121288277

IUPAC2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCc1n[nH]nc1-c1ccnc(-c2ncn(C)c2-c2ccc(F)cc2OCC(F)(F)F)c1
InChIInChI=1S/C20H16F4N6O/c1-11-17(28-29-27-11)12-5-6-25-15(7-12)18-19(30(2)10-26-18)14-4-3-13(21)8-16(14)31-9-20(22,23)24/h3-8,10H,9H2,1-2H3,(H,27,28,29)
InChIKeyQRFCWZXZLGVZMM-UHFFFAOYSA-N
MW432.38 g/mol
LogP4.32
Rot. Bonds5

About 2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine

2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine (PubChem CID 121288277) has the molecular formula C20H16F4N6O and a molecular weight of 432.38 g/mol. Its IUPAC name is 2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
PubChem CID121288277
Molecular FormulaC20H16F4N6O
Molecular Weight432.38 g/mol
Exact Mass432.13
IUPAC Name2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCc1n[nH]nc1-c1ccnc(-c2ncn(C)c2-c2ccc(F)cc2OCC(F)(F)F)c1
InChIInChI=1S/C20H16F4N6O/c1-11-17(28-29-27-11)12-5-6-25-15(7-12)18-19(30(2)10-26-18)14-4-3-13(21)8-16(14)31-9-20(22,23)24/h3-8,10H,9H2,1-2H3,(H,27,28,29)
InChIKeyQRFCWZXZLGVZMM-UHFFFAOYSA-N
XLogP4.32
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The IUPAC name of 2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine (CID 121288277) is 2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.
What is the SMILES notation for 2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The canonical SMILES for 2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is Cc1n[nH]nc1-c1ccnc(-c2ncn(C)c2-c2ccc(F)cc2OCC(F)(F)F)c1.
What is the InChIKey of 2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The InChIKey is QRFCWZXZLGVZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N6O/c1-11-17(28-29-27-11)12-5-6-25-15(7-12)18-19(30(2)10-26-18)14-4-3-13(21)8-16(14)31-9-20(22,23)24/h3-8,10H,9H2,1-2H3,(H,27,28,29).
What are the key properties of 2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine has a molecular weight of 432.38 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is sourced from PubChem (CID 121288277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).