2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5S)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;methane

C73H67F12N15O6 — CID 158948842

About 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5S)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;methane

2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5S)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;methane (PubChem CID 158948842) has the molecular formula C73H67F12N15O6 and a molecular weight of 1478.41 g/mol. Its IUPAC name is 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5S)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;methane.

Molecular Properties

• Compound Name: 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5S)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;methane
• PubChem CID: 158948842
• Molecular Formula: C73H67F12N15O6
• Molecular Weight: 1478.41 g/mol
• Exact Mass: 1477.52
• IUPAC Name: 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5S)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;methane
• SMILES: C.CCC(=O)c1cc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1CC(F)(F)F.CCC(=O)c1cc([C@@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1CC(F)(F)F.CCC(=O)c1cc([C@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1CC(F)(F)F
• InChI: InChI=1S/3C24H21F4N5O2.CH4/c3*1-3-19(34)18-11-16(12-33(18)13-23(26,27)28)24(21(35)32(2)22(29)31-24)15-7-4-6-14(10-15)17-8-5-9-30-20(17)25;/h3*4-12H,3,13H2,1-2H3,(H2,29,31);1H4/t2*24-;;/m10../s1
• InChIKey: JLDXJISNAPHXEH-YYISUBIMSA-N
• XLogP: 12.26
• TPSA: 280.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1478.41
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5S)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;methane?

The IUPAC name of 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5S)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;methane (CID 158948842) is 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5S)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;methane.

What is the SMILES notation for 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5S)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;methane?

The canonical SMILES for 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5S)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;methane is C.CCC(=O)c1cc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1CC(F)(F)F.CCC(=O)c1cc([C@@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1CC(F)(F)F.CCC(=O)c1cc([C@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cn1CC(F)(F)F.

What is the InChIKey of 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5S)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;methane?

The InChIKey is JLDXJISNAPHXEH-YYISUBIMSA-N. The full InChI is InChI=1S/3C24H21F4N5O2.CH4/c3*1-3-19(34)18-11-16(12-33(18)13-23(26,27)28)24(21(35)32(2)22(29)31-24)15-7-4-6-14(10-15)17-8-5-9-30-20(17)25;/h3*4-12H,3,13H2,1-2H3,(H2,29,31);1H4/t2*24-;;/m10../s1.

What are the key properties of 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5S)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;methane?

2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5S)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;methane has a molecular weight of 1478.41 g/mol, XLogP of 12.26, 18 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5S)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-propanoyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]imidazol-4-one;methane is sourced from PubChem (CID 158948842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).