N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate;cyclopentanecarboxamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopentanecarboxamide

C83H86BrF9N24O8 — CID 159296991

About N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate;cyclopentanecarboxamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopentanecarboxamide

N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate;cyclopentanecarboxamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopentanecarboxamide (PubChem CID 159296991) has the molecular formula C83H86BrF9N24O8 and a molecular weight of 1798.65 g/mol. Its IUPAC name is N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate;cyclopentanecarboxamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate;cyclopentanecarboxamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopentanecarboxamide
• PubChem CID: 159296991
• Molecular Formula: C83H86BrF9N24O8
• Molecular Weight: 1798.65 g/mol
• Exact Mass: 1796.61
• IUPAC Name: N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate;cyclopentanecarboxamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopentanecarboxamide
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H]1C(N)=O.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1.FC(F)(F)c1cccc(-c2nc(Nc3ccnc(Br)c3)c3cccn3n2)n1.NC(=O)C1CCCC1.O=C(Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1)C1CCCC1
• InChI: InChI=1S/C27H27F3N8O3.C23H20F3N7O.C17H10BrF3N6.C10H18N2O3.C6H11NO/c1-26(2,3)41-25(40)37-13-5-9-19(37)24(39)34-21-15-16(11-12-31-21)32-23-18-8-6-14-38(18)36-22(35-23)17-7-4-10-20(33-17)27(28,29)30;24-23(25,26)18-9-3-7-16(29-18)20-31-21(17-8-4-12-33(17)32-20)28-15-10-11-27-19(13-15)30-22(34)14-5-1-2-6-14;18-14-9-10(6-7-22-14)23-16-12-4-2-8-27(12)26-15(25-16)11-3-1-5-13(24-11)17(19,20)21;1-10(2,3)15-9(14)12-6-4-5-7(12)8(11)13;7-6(8)5-3-1-2-4-5/h4,6-8,10-12,14-15,19H,5,9,13H2,1-3H3,(H2,31,32,34,35,36,39);3-4,7-14H,1-2,5-6H2,(H2,27,28,30,31,32,34);1-9H,(H,22,23,25,26);7H,4-6H2,1-3H3,(H2,11,13);5H,1-4H2,(H2,7,8)/t19-;;;7-;/m0..1./s1
• InChIKey: LAVSRZBMJFQWHN-PAAYUWGJSA-N
• XLogP: 16.61
• TPSA: 407.46 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1798.65
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate;cyclopentanecarboxamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopentanecarboxamide?

The IUPAC name of N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate;cyclopentanecarboxamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopentanecarboxamide (CID 159296991) is N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate;cyclopentanecarboxamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopentanecarboxamide.

What is the SMILES notation for N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate;cyclopentanecarboxamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopentanecarboxamide?

The canonical SMILES for N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate;cyclopentanecarboxamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopentanecarboxamide is CC(C)(C)OC(=O)N1CCC[C@@H]1C(N)=O.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1.FC(F)(F)c1cccc(-c2nc(Nc3ccnc(Br)c3)c3cccn3n2)n1.NC(=O)C1CCCC1.O=C(Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1)C1CCCC1.

What is the InChIKey of N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate;cyclopentanecarboxamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopentanecarboxamide?

The InChIKey is LAVSRZBMJFQWHN-PAAYUWGJSA-N. The full InChI is InChI=1S/C27H27F3N8O3.C23H20F3N7O.C17H10BrF3N6.C10H18N2O3.C6H11NO/c1-26(2,3)41-25(40)37-13-5-9-19(37)24(39)34-21-15-16(11-12-31-21)32-23-18-8-6-14-38(18)36-22(35-23)17-7-4-10-20(33-17)27(28,29)30;24-23(25,26)18-9-3-7-16(29-18)20-31-21(17-8-4-12-33(17)32-20)28-15-10-11-27-19(13-15)30-22(34)14-5-1-2-6-14;18-14-9-10(6-7-22-14)23-16-12-4-2-8-27(12)26-15(25-16)11-3-1-5-13(24-11)17(19,20)21;1-10(2,3)15-9(14)12-6-4-5-7(12)8(11)13;7-6(8)5-3-1-2-4-5/h4,6-8,10-12,14-15,19H,5,9,13H2,1-3H3,(H2,31,32,34,35,36,39);3-4,7-14H,1-2,5-6H2,(H2,27,28,30,31,32,34);1-9H,(H,22,23,25,26);7H,4-6H2,1-3H3,(H2,11,13);5H,1-4H2,(H2,7,8)/t19-;;;7-;/m0..1./s1.

What are the key properties of N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate;cyclopentanecarboxamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopentanecarboxamide?

N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate;cyclopentanecarboxamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopentanecarboxamide has a molecular weight of 1798.65 g/mol, XLogP of 16.61, 15 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl (2R)-2-carbamoylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate;cyclopentanecarboxamide;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 159296991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).