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;6-methyl-N-prop-2-ynylpyridine-3-carboxamide;6-methylpyridine-3-carboxylic acid

C101H113N15O9 — CID 159538363

About 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;6-methyl-N-prop-2-ynylpyridine-3-carboxamide;6-methylpyridine-3-carboxylic acid

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;6-methyl-N-prop-2-ynylpyridine-3-carboxamide;6-methylpyridine-3-carboxylic acid (PubChem CID 159538363) has the molecular formula C101H113N15O9 and a molecular weight of 1681.11 g/mol. Its IUPAC name is 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;6-methyl-N-prop-2-ynylpyridine-3-carboxamide;6-methylpyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 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;6-methyl-N-prop-2-ynylpyridine-3-carboxamide;6-methylpyridine-3-carboxylic acid
• PubChem CID: 159538363
• Molecular Formula: C101H113N15O9
• Molecular Weight: 1681.11 g/mol
• Exact Mass: 1679.88
• IUPAC Name: 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;6-methyl-N-prop-2-ynylpyridine-3-carboxamide;6-methylpyridine-3-carboxylic acid
• SMILES: C#CCNC(=O)c1ccc(C)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.Cc1ccc(C(=O)O)cn1
• InChI: InChI=1S/C25H31N3O2.C24H29N3O3.C18H19N3.C17H17N3O.C10H10N2O.C7H7NO2/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;1-3-6-11-10(13)9-5-4-8(2)12-7-9;1-5-2-3-6(4-8-5)7(9)10/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;1,4-5,7H,6H2,2H3,(H,11,13);2-4H,1H3,(H,9,10)/t18-;17-;;;;/m11..../s1
• InChIKey: MDWOSRLQKMEXHH-KYLHLXKOSA-N
• XLogP: 19.34
• TPSA: 308.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 29
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1681.11
LogP ≤ 5	19.34
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 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;6-methyl-N-prop-2-ynylpyridine-3-carboxamide;6-methylpyridine-3-carboxylic acid?

The IUPAC name of 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;6-methyl-N-prop-2-ynylpyridine-3-carboxamide;6-methylpyridine-3-carboxylic acid (CID 159538363) is 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;6-methyl-N-prop-2-ynylpyridine-3-carboxamide;6-methylpyridine-3-carboxylic acid.

What is the SMILES notation for 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;6-methyl-N-prop-2-ynylpyridine-3-carboxamide;6-methylpyridine-3-carboxylic acid?

The canonical SMILES for 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;6-methyl-N-prop-2-ynylpyridine-3-carboxamide;6-methylpyridine-3-carboxylic acid is C#CCNC(=O)c1ccc(C)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.Cc1ccc(C(=O)O)cn1.

What is the InChIKey of 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;6-methyl-N-prop-2-ynylpyridine-3-carboxamide;6-methylpyridine-3-carboxylic acid?

The InChIKey is MDWOSRLQKMEXHH-KYLHLXKOSA-N. The full InChI is InChI=1S/C25H31N3O2.C24H29N3O3.C18H19N3.C17H17N3O.C10H10N2O.C7H7NO2/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;1-3-6-11-10(13)9-5-4-8(2)12-7-9;1-5-2-3-6(4-8-5)7(9)10/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;1,4-5,7H,6H2,2H3,(H,11,13);2-4H,1H3,(H,9,10)/t18-;17-;;;;/m11..../s1.

What are the key properties of 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;6-methyl-N-prop-2-ynylpyridine-3-carboxamide;6-methylpyridine-3-carboxylic acid?

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;6-methyl-N-prop-2-ynylpyridine-3-carboxamide;6-methylpyridine-3-carboxylic acid has a molecular weight of 1681.11 g/mol, XLogP of 19.34, 29 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 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;6-methyl-N-prop-2-ynylpyridine-3-carboxamide;6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 159538363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).