2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one

C120H90F18N36O6 — CID 160533477

IUPAC2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
SMILESCN1C(=O)C(c2ccc(C(F)(F)F)nc2)(c2cccc(-c3cncnc3)c2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cc(C(F)(F)F)ccn2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccc(C(F)(F)F)cn2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cccc(C(F)(F)F)n2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)(F)F)c2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cncc(C(F)(F)F)c2)N=C1N
InChIInChI=1S/6C20H15F3N6O/c1-29-17(30)19(28-18(29)24,15-6-3-7-16(27-15)20(21,22)23)14-5-2-4-12(8-14)13-9-25-11-26-10-13;1-29-17(30)19(28-18(29)24,15-6-16(10-25-9-15)20(21,22)23)14-4-2-3-12(5-14)13-7-26-11-27-8-13;1-29-17(30)19(28-18(29)24,16-8-15(5-6-27-16)20(21,22)23)14-4-2-3-12(7-14)13-9-25-11-26-10-13;1-29-17(30)19(28-18(29)24,15-5-6-27-16(8-15)20(21,22)23)14-4-2-3-12(7-14)13-9-25-11-26-10-13;1-29-17(30)19(28-18(29)24,16-6-5-15(10-27-16)20(21,22)23)14-4-2-3-12(7-14)13-8-25-11-26-9-13;1-29-17(30)19(28-18(29)24,15-5-6-16(27-10-15)20(21,22)23)14-4-2-3-12(7-14)13-8-25-11-26-9-13/h6*2-11H,1H3,(H2,24,28)
InChIKeyQVVVVVGLGWKNIT-UHFFFAOYSA-N
MW2474.25 g/mol
LogP15.53
Rot. Bonds18

About 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one

2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one (PubChem CID 160533477) has the molecular formula C120H90F18N36O6 and a molecular weight of 2474.25 g/mol. Its IUPAC name is 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
PubChem CID160533477
Molecular FormulaC120H90F18N36O6
Molecular Weight2474.25 g/mol
Exact Mass2472.76
IUPAC Name2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
SMILESCN1C(=O)C(c2ccc(C(F)(F)F)nc2)(c2cccc(-c3cncnc3)c2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cc(C(F)(F)F)ccn2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccc(C(F)(F)F)cn2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cccc(C(F)(F)F)n2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)(F)F)c2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cncc(C(F)(F)F)c2)N=C1N
InChIInChI=1S/6C20H15F3N6O/c1-29-17(30)19(28-18(29)24,15-6-3-7-16(27-15)20(21,22)23)14-5-2-4-12(8-14)13-9-25-11-26-10-13;1-29-17(30)19(28-18(29)24,15-6-16(10-25-9-15)20(21,22)23)14-4-2-3-12(5-14)13-7-26-11-27-8-13;1-29-17(30)19(28-18(29)24,16-8-15(5-6-27-16)20(21,22)23)14-4-2-3-12(7-14)13-9-25-11-26-10-13;1-29-17(30)19(28-18(29)24,15-5-6-27-16(8-15)20(21,22)23)14-4-2-3-12(7-14)13-9-25-11-26-10-13;1-29-17(30)19(28-18(29)24,16-6-5-15(10-27-16)20(21,22)23)14-4-2-3-12(7-14)13-8-25-11-26-9-13;1-29-17(30)19(28-18(29)24,15-5-6-16(27-10-15)20(21,22)23)14-4-2-3-12(7-14)13-8-25-11-26-9-13/h6*2-11H,1H3,(H2,24,28)
InChIKeyQVVVVVGLGWKNIT-UHFFFAOYSA-N
XLogP15.53
TPSA584.16 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds18
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002474.25
LogP ≤ 515.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Analyze 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one?
The IUPAC name of 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one (CID 160533477) is 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one.
What is the SMILES notation for 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one?
The canonical SMILES for 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one is CN1C(=O)C(c2ccc(C(F)(F)F)nc2)(c2cccc(-c3cncnc3)c2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cc(C(F)(F)F)ccn2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccc(C(F)(F)F)cn2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cccc(C(F)(F)F)n2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)(F)F)c2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cncc(C(F)(F)F)c2)N=C1N.
What is the InChIKey of 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one?
The InChIKey is QVVVVVGLGWKNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/6C20H15F3N6O/c1-29-17(30)19(28-18(29)24,15-6-3-7-16(27-15)20(21,22)23)14-5-2-4-12(8-14)13-9-25-11-26-10-13;1-29-17(30)19(28-18(29)24,15-6-16(10-25-9-15)20(21,22)23)14-4-2-3-12(5-14)13-7-26-11-27-8-13;1-29-17(30)19(28-18(29)24,16-8-15(5-6-27-16)20(21,22)23)14-4-2-3-12(7-14)13-9-25-11-26-10-13;1-29-17(30)19(28-18(29)24,15-5-6-27-16(8-15)20(21,22)23)14-4-2-3-12(7-14)13-9-25-11-26-10-13;1-29-17(30)19(28-18(29)24,16-6-5-15(10-27-16)20(21,22)23)14-4-2-3-12(7-14)13-8-25-11-26-9-13;1-29-17(30)19(28-18(29)24,15-5-6-16(27-10-15)20(21,22)23)14-4-2-3-12(7-14)13-8-25-11-26-9-13/h6*2-11H,1H3,(H2,24,28).
What are the key properties of 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one?
2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one has a molecular weight of 2474.25 g/mol, XLogP of 15.53, 18 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one is sourced from PubChem (CID 160533477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).