N-[4-[[5-acetyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;2-chloropyridin-4-amine;1-[4-[(2-chloro-4-pyridinyl)amino]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;N-[4-[[5-(hydroxymethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;2-methyl-6-(trifluoromethyl)pyridine;1-[4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone

C106H78Cl3F15N30O9 — CID 162011709

About N-[4-[[5-acetyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;2-chloropyridin-4-amine;1-[4-[(2-chloro-4-pyridinyl)amino]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;N-[4-[[5-(hydroxymethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;2-methyl-6-(trifluoromethyl)pyridine;1-[4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone

N-[4-[[5-acetyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;2-chloropyridin-4-amine;1-[4-[(2-chloro-4-pyridinyl)amino]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;N-[4-[[5-(hydroxymethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;2-methyl-6-(trifluoromethyl)pyridine;1-[4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone (PubChem CID 162011709) has the molecular formula C106H78Cl3F15N30O9 and a molecular weight of 2307.32 g/mol. Its IUPAC name is N-[4-[[5-acetyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;2-chloropyridin-4-amine;1-[4-[(2-chloro-4-pyridinyl)amino]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;N-[4-[[5-(hydroxymethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;2-methyl-6-(trifluoromethyl)pyridine;1-[4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone.

Molecular Properties

• Compound Name: N-[4-[[5-acetyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;2-chloropyridin-4-amine;1-[4-[(2-chloro-4-pyridinyl)amino]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;N-[4-[[5-(hydroxymethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;2-methyl-6-(trifluoromethyl)pyridine;1-[4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone
• PubChem CID: 162011709
• Molecular Formula: C106H78Cl3F15N30O9
• Molecular Weight: 2307.32 g/mol
• Exact Mass: 2304.54
• IUPAC Name: N-[4-[[5-acetyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;2-chloropyridin-4-amine;1-[4-[(2-chloro-4-pyridinyl)amino]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;N-[4-[[5-(hydroxymethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;2-methyl-6-(trifluoromethyl)pyridine;1-[4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone
• SMILES: CC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3ccc(C(C)=O)c23)ccn1.CC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3ccc(CO)c23)ccn1.CC(=O)c1ccn2nc(-c3cccc(C(F)(F)F)n3)nc(Nc3ccnc(Cl)c3)c12.CC(=O)c1ccn2nc(-c3cccc(C(F)(F)F)n3)nc(Oc3ccccc3)c12.CC(=O)c1ccn2nc(Cl)nc(Oc3ccccc3)c12.Cc1cccc(C(F)(F)F)n1.Nc1ccnc(Cl)c1
• InChI: InChI=1S/C21H16F3N7O2.C20H16F3N7O2.C20H13F3N4O2.C19H12ClF3N6O.C14H10ClN3O2.C7H6F3N.C5H5ClN2/c1-11(32)14-7-9-31-18(14)20(27-13-6-8-25-17(10-13)26-12(2)33)29-19(30-31)15-4-3-5-16(28-15)21(22,23)24;1-11(32)25-16-9-13(5-7-24-16)26-19-17-12(10-31)6-8-30(17)29-18(28-19)14-3-2-4-15(27-14)20(21,22)23;1-12(28)14-10-11-27-17(14)19(29-13-6-3-2-4-7-13)25-18(26-27)15-8-5-9-16(24-15)20(21,22)23;1-10(30)12-6-8-29-16(12)18(25-11-5-7-24-15(20)9-11)27-17(28-29)13-3-2-4-14(26-13)19(21,22)23;1-9(19)11-7-8-18-12(11)13(16-14(15)17-18)20-10-5-3-2-4-6-10;1-5-3-2-4-6(11-5)7(8,9)10;6-5-3-4(7)1-2-8-5/h3-10H,1-2H3,(H2,25,26,27,29,30,33);2-9,31H,10H2,1H3,(H2,24,25,26,28,29,32);2-11H,1H3;2-9H,1H3,(H,24,25,27,28);2-8H,1H3;2-4H,1H3;1-3H,(H2,7,8)
• InChIKey: YTOJQXKBISATGN-UHFFFAOYSA-N
• XLogP: 24.22
• TPSA: 494.24 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 21
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2307.32
LogP ≤ 5	24.22
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-acetyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;2-chloropyridin-4-amine;1-[4-[(2-chloro-4-pyridinyl)amino]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;N-[4-[[5-(hydroxymethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;2-methyl-6-(trifluoromethyl)pyridine;1-[4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone?

The IUPAC name of N-[4-[[5-acetyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;2-chloropyridin-4-amine;1-[4-[(2-chloro-4-pyridinyl)amino]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;N-[4-[[5-(hydroxymethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;2-methyl-6-(trifluoromethyl)pyridine;1-[4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone (CID 162011709) is N-[4-[[5-acetyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;2-chloropyridin-4-amine;1-[4-[(2-chloro-4-pyridinyl)amino]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;N-[4-[[5-(hydroxymethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;2-methyl-6-(trifluoromethyl)pyridine;1-[4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone.

What is the SMILES notation for N-[4-[[5-acetyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;2-chloropyridin-4-amine;1-[4-[(2-chloro-4-pyridinyl)amino]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;N-[4-[[5-(hydroxymethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;2-methyl-6-(trifluoromethyl)pyridine;1-[4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone?

The canonical SMILES for N-[4-[[5-acetyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;2-chloropyridin-4-amine;1-[4-[(2-chloro-4-pyridinyl)amino]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;N-[4-[[5-(hydroxymethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;2-methyl-6-(trifluoromethyl)pyridine;1-[4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone is CC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3ccc(C(C)=O)c23)ccn1.CC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3ccc(CO)c23)ccn1.CC(=O)c1ccn2nc(-c3cccc(C(F)(F)F)n3)nc(Nc3ccnc(Cl)c3)c12.CC(=O)c1ccn2nc(-c3cccc(C(F)(F)F)n3)nc(Oc3ccccc3)c12.CC(=O)c1ccn2nc(Cl)nc(Oc3ccccc3)c12.Cc1cccc(C(F)(F)F)n1.Nc1ccnc(Cl)c1.

What is the InChIKey of N-[4-[[5-acetyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;2-chloropyridin-4-amine;1-[4-[(2-chloro-4-pyridinyl)amino]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;N-[4-[[5-(hydroxymethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;2-methyl-6-(trifluoromethyl)pyridine;1-[4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone?

The InChIKey is YTOJQXKBISATGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N7O2.C20H16F3N7O2.C20H13F3N4O2.C19H12ClF3N6O.C14H10ClN3O2.C7H6F3N.C5H5ClN2/c1-11(32)14-7-9-31-18(14)20(27-13-6-8-25-17(10-13)26-12(2)33)29-19(30-31)15-4-3-5-16(28-15)21(22,23)24;1-11(32)25-16-9-13(5-7-24-16)26-19-17-12(10-31)6-8-30(17)29-18(28-19)14-3-2-4-15(27-14)20(21,22)23;1-12(28)14-10-11-27-17(14)19(29-13-6-3-2-4-7-13)25-18(26-27)15-8-5-9-16(24-15)20(21,22)23;1-10(30)12-6-8-29-16(12)18(25-11-5-7-24-15(20)9-11)27-17(28-29)13-3-2-4-14(26-13)19(21,22)23;1-9(19)11-7-8-18-12(11)13(16-14(15)17-18)20-10-5-3-2-4-6-10;1-5-3-2-4-6(11-5)7(8,9)10;6-5-3-4(7)1-2-8-5/h3-10H,1-2H3,(H2,25,26,27,29,30,33);2-9,31H,10H2,1H3,(H2,24,25,26,28,29,32);2-11H,1H3;2-9H,1H3,(H,24,25,27,28);2-8H,1H3;2-4H,1H3;1-3H,(H2,7,8).

What are the key properties of N-[4-[[5-acetyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;2-chloropyridin-4-amine;1-[4-[(2-chloro-4-pyridinyl)amino]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;N-[4-[[5-(hydroxymethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;2-methyl-6-(trifluoromethyl)pyridine;1-[4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone?

N-[4-[[5-acetyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;2-chloropyridin-4-amine;1-[4-[(2-chloro-4-pyridinyl)amino]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;N-[4-[[5-(hydroxymethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;2-methyl-6-(trifluoromethyl)pyridine;1-[4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone has a molecular weight of 2307.32 g/mol, XLogP of 24.22, 21 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[5-acetyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;2-chloropyridin-4-amine;1-[4-[(2-chloro-4-pyridinyl)amino]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;N-[4-[[5-(hydroxymethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;2-methyl-6-(trifluoromethyl)pyridine;1-[4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone is sourced from PubChem (CID 162011709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).