ethyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one;3-methyl-3aH-pyrrolo[2,3-c]pyridine;2,4,5-trimethylpyridine

C67H71BF3N13O10 — CID 167640821

About ethyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one;3-methyl-3aH-pyrrolo[2,3-c]pyridine;2,4,5-trimethylpyridine

ethyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one;3-methyl-3aH-pyrrolo[2,3-c]pyridine;2,4,5-trimethylpyridine (PubChem CID 167640821) has the molecular formula C67H71BF3N13O10 and a molecular weight of 1286.19 g/mol. Its IUPAC name is ethyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one;3-methyl-3aH-pyrrolo[2,3-c]pyridine;2,4,5-trimethylpyridine.

Molecular Properties

• Compound Name: ethyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one;3-methyl-3aH-pyrrolo[2,3-c]pyridine;2,4,5-trimethylpyridine
• PubChem CID: 167640821
• Molecular Formula: C67H71BF3N13O10
• Molecular Weight: 1286.19 g/mol
• Exact Mass: 1285.55
• IUPAC Name: ethyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one;3-methyl-3aH-pyrrolo[2,3-c]pyridine;2,4,5-trimethylpyridine
• SMILES: CC1=CN=C2C=NC=CC12.CCOC(=O)COc1ccc(-c2cnc3cnccn23)cn1.CCOC(=O)COc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.Cc1cc(C)c(C)cn1.Cc1cnc(CC(=O)COc2ccc(-c3cnc4cnccn34)cn2)cc1C(F)(F)F
• InChI: InChI=1S/C21H16F3N5O2.C15H22BNO5.C15H14N4O3.C8H8N2.C8H11N/c1-13-8-26-15(7-17(13)21(22,23)24)6-16(30)12-31-20-3-2-14(9-28-20)18-10-27-19-11-25-4-5-29(18)19;1-6-19-13(18)10-20-12-8-7-11(9-17-12)16-21-14(2,3)15(4,5)22-16;1-2-21-15(20)10-22-14-4-3-11(7-18-14)12-8-17-13-9-16-5-6-19(12)13;1-6-4-10-8-5-9-3-2-7(6)8;1-6-4-8(3)9-5-7(6)2/h2-5,7-11H,6,12H2,1H3;7-9H,6,10H2,1-5H3;3-9H,2,10H2,1H3;2-5,7H,1H3;4-5H,1-3H3
• InChIKey: PDFDAOXKBRLLDX-UHFFFAOYSA-N
• XLogP: 10.33
• TPSA: 265.37 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1286.19
LogP ≤ 5	10.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one;3-methyl-3aH-pyrrolo[2,3-c]pyridine;2,4,5-trimethylpyridine?

The IUPAC name of ethyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one;3-methyl-3aH-pyrrolo[2,3-c]pyridine;2,4,5-trimethylpyridine (CID 167640821) is ethyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one;3-methyl-3aH-pyrrolo[2,3-c]pyridine;2,4,5-trimethylpyridine.

What is the SMILES notation for ethyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one;3-methyl-3aH-pyrrolo[2,3-c]pyridine;2,4,5-trimethylpyridine?

The canonical SMILES for ethyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one;3-methyl-3aH-pyrrolo[2,3-c]pyridine;2,4,5-trimethylpyridine is CC1=CN=C2C=NC=CC12.CCOC(=O)COc1ccc(-c2cnc3cnccn23)cn1.CCOC(=O)COc1ccc(B2OC(C)(C)C(C)(C)O2)cn1.Cc1cc(C)c(C)cn1.Cc1cnc(CC(=O)COc2ccc(-c3cnc4cnccn34)cn2)cc1C(F)(F)F.

What is the InChIKey of ethyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one;3-methyl-3aH-pyrrolo[2,3-c]pyridine;2,4,5-trimethylpyridine?

The InChIKey is PDFDAOXKBRLLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2.C15H22BNO5.C15H14N4O3.C8H8N2.C8H11N/c1-13-8-26-15(7-17(13)21(22,23)24)6-16(30)12-31-20-3-2-14(9-28-20)18-10-27-19-11-25-4-5-29(18)19;1-6-19-13(18)10-20-12-8-7-11(9-17-12)16-21-14(2,3)15(4,5)22-16;1-2-21-15(20)10-22-14-4-3-11(7-18-14)12-8-17-13-9-16-5-6-19(12)13;1-6-4-10-8-5-9-3-2-7(6)8;1-6-4-8(3)9-5-7(6)2/h2-5,7-11H,6,12H2,1H3;7-9H,6,10H2,1-5H3;3-9H,2,10H2,1H3;2-5,7H,1H3;4-5H,1-3H3.

What are the key properties of ethyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one;3-methyl-3aH-pyrrolo[2,3-c]pyridine;2,4,5-trimethylpyridine?

ethyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one;3-methyl-3aH-pyrrolo[2,3-c]pyridine;2,4,5-trimethylpyridine has a molecular weight of 1286.19 g/mol, XLogP of 10.33, 16 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]acetate;ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate;1-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]propan-2-one;3-methyl-3aH-pyrrolo[2,3-c]pyridine;2,4,5-trimethylpyridine is sourced from PubChem (CID 167640821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).