(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol

C34H21F7N6O4 — CID 158648788

IUPAC(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol
SMILESO=C(c1cncnc1)c1ccc(F)cn1.O=C(c1cncnc1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cn1.Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F3N3O2.C10H6FN3O.C7H5F3O/c18-17(19,20)12-1-3-13(4-2-12)25-14-5-6-15(23-9-14)16(24)11-7-21-10-22-8-11;11-8-1-2-9(14-5-8)10(15)7-3-12-6-13-4-7;8-7(9,10)5-1-3-6(11)4-2-5/h1-10H;1-6H;1-4,11H
InChIKeyIBHGLTLGALKZGH-UHFFFAOYSA-N
MW710.57 g/mol
LogP7.57
Rot. Bonds6

About (5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol

(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol (PubChem CID 158648788) has the molecular formula C34H21F7N6O4 and a molecular weight of 710.57 g/mol. Its IUPAC name is (5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol
PubChem CID158648788
Molecular FormulaC34H21F7N6O4
Molecular Weight710.57 g/mol
Exact Mass710.15
IUPAC Name(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol
SMILESO=C(c1cncnc1)c1ccc(F)cn1.O=C(c1cncnc1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cn1.Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F3N3O2.C10H6FN3O.C7H5F3O/c18-17(19,20)12-1-3-13(4-2-12)25-14-5-6-15(23-9-14)16(24)11-7-21-10-22-8-11;11-8-1-2-9(14-5-8)10(15)7-3-12-6-13-4-7;8-7(9,10)5-1-3-6(11)4-2-5/h1-10H;1-6H;1-4,11H
InChIKeyIBHGLTLGALKZGH-UHFFFAOYSA-N
XLogP7.57
TPSA140.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.57
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-Fluoro-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]piperidin-1-yl]-(2-pyrimidin-4-yl-3-pyridinyl)methanone
CID 163385649
2-Pyridinyl[4-[[3-(5-pyrimidinyl)-2-pyrazinyl]oxy]phenyl]methanone
CID 59374342
1-(3-Fluoro-5-pyrimidin-5-yloxyphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58318703
1-(3-Fluoro-5-pyrimidin-5-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58318810
1-(3-Fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58318859
2-[6-(Difluoromethyl)-5-fluoro-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318869
2-(3-Fluoro-5-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349282
2-(5-Fluoro-4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349310
2-[1-(Pyrimidin-5-ylmethyl)piperidin-4-yl]-1-[5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-pyridinyl]ethanone
CID 58456809
2-[4-(Difluoromethoxy)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine
CID 66779936
5-[4-[[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid
CID 67218348
Pyrimidin-5-yl(5-(4-(trifluoromethyl)phenoxy)pyridin-2-yl)methanone
CID 118431397

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol?
The IUPAC name of (5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol (CID 158648788) is (5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol.
What is the SMILES notation for (5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol?
The canonical SMILES for (5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol is O=C(c1cncnc1)c1ccc(F)cn1.O=C(c1cncnc1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cn1.Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol?
The InChIKey is IBHGLTLGALKZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O2.C10H6FN3O.C7H5F3O/c18-17(19,20)12-1-3-13(4-2-12)25-14-5-6-15(23-9-14)16(24)11-7-21-10-22-8-11;11-8-1-2-9(14-5-8)10(15)7-3-12-6-13-4-7;8-7(9,10)5-1-3-6(11)4-2-5/h1-10H;1-6H;1-4,11H.
What are the key properties of (5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol?
(5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol has a molecular weight of 710.57 g/mol, XLogP of 7.57, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-pyridinyl)-pyrimidin-5-ylmethanone;pyrimidin-5-yl-[5-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]methanone;4-(trifluoromethyl)phenol is sourced from PubChem (CID 158648788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).