ethyl 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;3-fluoropyridin-4-amine;2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol;2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C102H96BCl3F3N25O17 — CID 158056429

About ethyl 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;3-fluoropyridin-4-amine;2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol;2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

ethyl 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;3-fluoropyridin-4-amine;2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol;2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 158056429) has the molecular formula C102H96BCl3F3N25O17 and a molecular weight of 2118.21 g/mol. Its IUPAC name is ethyl 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;3-fluoropyridin-4-amine;2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol;2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

• Compound Name: ethyl 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;3-fluoropyridin-4-amine;2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol;2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 158056429
• Molecular Formula: C102H96BCl3F3N25O17
• Molecular Weight: 2118.21 g/mol
• Exact Mass: 2115.65
• IUPAC Name: ethyl 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;3-fluoropyridin-4-amine;2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol;2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: CCOC(=O)c1cc2c(Cl)nc(Cl)nn2c1.CCOC(=O)c1cc2c(Nc3ccncc3F)nc(-c3cccc(OC)n3)nn2c1.CCOC(=O)c1cc2c(Oc3ccccc3)nc(-c3cccc(OC)n3)nn2c1.CCOC(=O)c1cc2c(Oc3ccccc3)nc(Cl)nn2c1.COc1cccc(-c2nc(Nc3ccncc3F)c3cc(C(C)(C)O)cn3n2)n1.COc1cccc(B2OC(C)(C)C(C)(C)O2)n1.Nc1ccncc1F
• InChI: InChI=1S/C21H18N4O4.C20H17FN6O3.C20H19FN6O2.C15H12ClN3O3.C12H18BNO3.C9H7Cl2N3O2.C5H5FN2/c1-3-28-21(26)14-12-17-20(29-15-8-5-4-6-9-15)23-19(24-25(17)13-14)16-10-7-11-18(22-16)27-2;1-3-30-20(28)12-9-16-19(24-14-7-8-22-10-13(14)21)25-18(26-27(16)11-12)15-5-4-6-17(23-15)29-2;1-20(2,28)12-9-16-19(24-14-7-8-22-10-13(14)21)25-18(26-27(16)11-12)15-5-4-6-17(23-15)29-3;1-2-21-14(20)10-8-12-13(17-15(16)18-19(12)9-10)22-11-6-4-3-5-7-11;1-11(2)12(3,4)17-13(16-11)9-7-6-8-10(14-9)15-5;1-2-16-8(15)5-3-6-7(10)12-9(11)13-14(6)4-5;6-4-3-8-2-1-5(4)7/h4-13H,3H2,1-2H3;4-11H,3H2,1-2H3,(H,22,24,25,26);4-11,28H,1-3H3,(H,22,24,25,26);3-9H,2H2,1H3;6-8H,1-5H3;3-4H,2H2,1H3;1-3H,(H2,7,8)
• InChIKey: FKCMIYOQBUXSRT-UHFFFAOYSA-N
• XLogP: 18.08
• TPSA: 490.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 42
• Rotatable Bonds: 25
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2118.21
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;3-fluoropyridin-4-amine;2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol;2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The IUPAC name of ethyl 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;3-fluoropyridin-4-amine;2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol;2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 158056429) is ethyl 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;3-fluoropyridin-4-amine;2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol;2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the SMILES notation for ethyl 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;3-fluoropyridin-4-amine;2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol;2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The canonical SMILES for ethyl 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;3-fluoropyridin-4-amine;2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol;2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CCOC(=O)c1cc2c(Cl)nc(Cl)nn2c1.CCOC(=O)c1cc2c(Nc3ccncc3F)nc(-c3cccc(OC)n3)nn2c1.CCOC(=O)c1cc2c(Oc3ccccc3)nc(-c3cccc(OC)n3)nn2c1.CCOC(=O)c1cc2c(Oc3ccccc3)nc(Cl)nn2c1.COc1cccc(-c2nc(Nc3ccncc3F)c3cc(C(C)(C)O)cn3n2)n1.COc1cccc(B2OC(C)(C)C(C)(C)O2)n1.Nc1ccncc1F.

What is the InChIKey of ethyl 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;3-fluoropyridin-4-amine;2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol;2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChIKey is FKCMIYOQBUXSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4.C20H17FN6O3.C20H19FN6O2.C15H12ClN3O3.C12H18BNO3.C9H7Cl2N3O2.C5H5FN2/c1-3-28-21(26)14-12-17-20(29-15-8-5-4-6-9-15)23-19(24-25(17)13-14)16-10-7-11-18(22-16)27-2;1-3-30-20(28)12-9-16-19(24-14-7-8-22-10-13(14)21)25-18(26-27(16)11-12)15-5-4-6-17(23-15)29-2;1-20(2,28)12-9-16-19(24-14-7-8-22-10-13(14)21)25-18(26-27(16)11-12)15-5-4-6-17(23-15)29-3;1-2-21-14(20)10-8-12-13(17-15(16)18-19(12)9-10)22-11-6-4-3-5-7-11;1-11(2)12(3,4)17-13(16-11)9-7-6-8-10(14-9)15-5;1-2-16-8(15)5-3-6-7(10)12-9(11)13-14(6)4-5;6-4-3-8-2-1-5(4)7/h4-13H,3H2,1-2H3;4-11H,3H2,1-2H3,(H,22,24,25,26);4-11,28H,1-3H3,(H,22,24,25,26);3-9H,2H2,1H3;6-8H,1-5H3;3-4H,2H2,1H3;1-3H,(H2,7,8).

What are the key properties of ethyl 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;3-fluoropyridin-4-amine;2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol;2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

ethyl 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;3-fluoropyridin-4-amine;2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol;2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 2118.21 g/mol, XLogP of 18.08, 25 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;3-fluoropyridin-4-amine;2-[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol;2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 158056429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).