methane;2-methyl-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;(4R)-4-methyl-7-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-(trifluoromethyl)pyridine-3-carboxylic acid

C106H127F6N15O9 — CID 159752899

About methane;2-methyl-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;(4R)-4-methyl-7-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-(trifluoromethyl)pyridine-3-carboxylic acid

methane;2-methyl-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;(4R)-4-methyl-7-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 159752899) has the molecular formula C106H127F6N15O9 and a molecular weight of 1869.27 g/mol. Its IUPAC name is methane;2-methyl-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;(4R)-4-methyl-7-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: methane;2-methyl-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;(4R)-4-methyl-7-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-(trifluoromethyl)pyridine-3-carboxylic acid
• PubChem CID: 159752899
• Molecular Formula: C106H127F6N15O9
• Molecular Weight: 1869.27 g/mol
• Exact Mass: 1867.98
• IUPAC Name: methane;2-methyl-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;(4R)-4-methyl-7-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-(trifluoromethyl)pyridine-3-carboxylic acid
• SMILES: C.C.C.C.C.C#CCNC(=O)c1ccc(C(F)(F)F)nc1.CC(=O)C[C@H](C)CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(C)nc1.Cc1ccc(-c2ncc(C)n2Cc2ccccc2C)cn1.Cc1ccc(-c2ncc(C)n2Cc2ccccc2O)cn1.Cc1ccc(-c2ncc(C)n2Cc2ccccc2OCCC[C@@H](C)CC(=O)O)cn1.O=C(O)c1ccc(C(F)(F)F)nc1
• InChI: InChI=1S/C25H31N3O2.C24H29N3O3.C18H19N3.C17H17N3O.C10H7F3N2O.C7H4F3NO2.5CH4/c1-18(14-21(4)29)8-7-13-30-24-10-6-5-9-23(24)17-28-20(3)15-27-25(28)22-12-11-19(2)26-16-22;1-17(13-23(28)29)7-6-12-30-22-9-5-4-8-21(22)16-27-19(3)14-26-24(27)20-11-10-18(2)25-15-20;1-13-6-4-5-7-17(13)12-21-15(3)10-20-18(21)16-9-8-14(2)19-11-16;1-12-7-8-14(10-18-12)17-19-9-13(2)20(17)11-15-5-3-4-6-16(15)21;1-2-5-14-9(16)7-3-4-8(15-6-7)10(11,12)13;8-7(9,10)5-2-1-4(3-11-5)6(12)13;;;;;/h5-6,9-12,15-16,18H,7-8,13-14,17H2,1-4H3;4-5,8-11,14-15,17H,6-7,12-13,16H2,1-3H3,(H,28,29);4-11H,12H2,1-3H3;3-10,21H,11H2,1-2H3;1,3-4,6H,5H2,(H,14,16);1-3H,(H,12,13);5*1H4/t18-;17-;;;;;;;;;/m11........./s1
• InChIKey: NDWKNGNAXBCGBP-SJPDUZAKSA-N
• XLogP: 23.94
• TPSA: 308.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 29
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1869.27
LogP ≤ 5	23.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;(4R)-4-methyl-7-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-(trifluoromethyl)pyridine-3-carboxylic acid?

The IUPAC name of methane;2-methyl-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;(4R)-4-methyl-7-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 159752899) is methane;2-methyl-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;(4R)-4-methyl-7-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-(trifluoromethyl)pyridine-3-carboxylic acid.

What is the SMILES notation for methane;2-methyl-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;(4R)-4-methyl-7-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-(trifluoromethyl)pyridine-3-carboxylic acid?

The canonical SMILES for methane;2-methyl-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;(4R)-4-methyl-7-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-(trifluoromethyl)pyridine-3-carboxylic acid is C.C.C.C.C.C#CCNC(=O)c1ccc(C(F)(F)F)nc1.CC(=O)C[C@H](C)CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(C)nc1.Cc1ccc(-c2ncc(C)n2Cc2ccccc2C)cn1.Cc1ccc(-c2ncc(C)n2Cc2ccccc2O)cn1.Cc1ccc(-c2ncc(C)n2Cc2ccccc2OCCC[C@@H](C)CC(=O)O)cn1.O=C(O)c1ccc(C(F)(F)F)nc1.

What is the InChIKey of methane;2-methyl-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;(4R)-4-methyl-7-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-(trifluoromethyl)pyridine-3-carboxylic acid?

The InChIKey is NDWKNGNAXBCGBP-SJPDUZAKSA-N. The full InChI is InChI=1S/C25H31N3O2.C24H29N3O3.C18H19N3.C17H17N3O.C10H7F3N2O.C7H4F3NO2.5CH4/c1-18(14-21(4)29)8-7-13-30-24-10-6-5-9-23(24)17-28-20(3)15-27-25(28)22-12-11-19(2)26-16-22;1-17(13-23(28)29)7-6-12-30-22-9-5-4-8-21(22)16-27-19(3)14-26-24(27)20-11-10-18(2)25-15-20;1-13-6-4-5-7-17(13)12-21-15(3)10-20-18(21)16-9-8-14(2)19-11-16;1-12-7-8-14(10-18-12)17-19-9-13(2)20(17)11-15-5-3-4-6-16(15)21;1-2-5-14-9(16)7-3-4-8(15-6-7)10(11,12)13;8-7(9,10)5-2-1-4(3-11-5)6(12)13;;;;;/h5-6,9-12,15-16,18H,7-8,13-14,17H2,1-4H3;4-5,8-11,14-15,17H,6-7,12-13,16H2,1-3H3,(H,28,29);4-11H,12H2,1-3H3;3-10,21H,11H2,1-2H3;1,3-4,6H,5H2,(H,14,16);1-3H,(H,12,13);5*1H4/t18-;17-;;;;;;;;;/m11........./s1.

What are the key properties of methane;2-methyl-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;(4R)-4-methyl-7-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-(trifluoromethyl)pyridine-3-carboxylic acid?

methane;2-methyl-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;(4R)-4-methyl-7-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 1869.27 g/mol, XLogP of 23.94, 29 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-methyl-5-[5-methyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]pyridine;(4R)-4-methyl-7-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]heptan-2-one;(3R)-3-methyl-6-[2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenoxy]hexanoic acid;2-[[5-methyl-2-(6-methyl-3-pyridinyl)imidazol-1-yl]methyl]phenol;N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide;6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 159752899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).