2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide;2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;(3S)-pyrrolidin-3-ol

C52H56Br2F6N18O6 — CID 162123697

About 2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide;2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;(3S)-pyrrolidin-3-ol

2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide;2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;(3S)-pyrrolidin-3-ol (PubChem CID 162123697) has the molecular formula C52H56Br2F6N18O6 and a molecular weight of 1302.94 g/mol. Its IUPAC name is 2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide;2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;(3S)-pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide;2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;(3S)-pyrrolidin-3-ol
• PubChem CID: 162123697
• Molecular Formula: C52H56Br2F6N18O6
• Molecular Weight: 1302.94 g/mol
• Exact Mass: 1300.29
• IUPAC Name: 2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide;2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;(3S)-pyrrolidin-3-ol
• SMILES: FC(F)(F)c1cccc(-c2nc(Nc3ccnc(Br)c3)c3cccn3n2)n1.NC(=O)CBr.NC(=O)CN1CC[C@H](O)C1.O=C(CN1CC[C@H](O)C1)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1.O[C@H]1CCNC1
• InChI: InChI=1S/C23H21F3N8O2.C17H10BrF3N6.C6H12N2O2.C4H9NO.C2H4BrNO/c24-23(25,26)18-5-1-3-16(29-18)21-31-22(17-4-2-9-34(17)32-21)28-14-6-8-27-19(11-14)30-20(36)13-33-10-7-15(35)12-33;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;7-6(10)4-8-2-1-5(9)3-8;6-4-1-2-5-3-4;3-1-2(4)5/h1-6,8-9,11,15,35H,7,10,12-13H2,(H2,27,28,30,31,32,36);1-9H,(H,22,23,25,26);5,9H,1-4H2,(H2,7,10);4-6H,1-3H2;1H2,(H2,4,5)/t15-;;5-;4-;/m0.00./s1
• InChIKey: ZHTCUNXGFMGNCT-WKLCIHEKSA-N
• XLogP: 5.41
• TPSA: 330.48 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1302.94
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide;2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;(3S)-pyrrolidin-3-ol?

The IUPAC name of 2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide;2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;(3S)-pyrrolidin-3-ol (CID 162123697) is 2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide;2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;(3S)-pyrrolidin-3-ol.

What is the SMILES notation for 2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide;2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;(3S)-pyrrolidin-3-ol?

The canonical SMILES for 2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide;2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;(3S)-pyrrolidin-3-ol is FC(F)(F)c1cccc(-c2nc(Nc3ccnc(Br)c3)c3cccn3n2)n1.NC(=O)CBr.NC(=O)CN1CC[C@H](O)C1.O=C(CN1CC[C@H](O)C1)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1.O[C@H]1CCNC1.

What is the InChIKey of 2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide;2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;(3S)-pyrrolidin-3-ol?

The InChIKey is ZHTCUNXGFMGNCT-WKLCIHEKSA-N. The full InChI is InChI=1S/C23H21F3N8O2.C17H10BrF3N6.C6H12N2O2.C4H9NO.C2H4BrNO/c24-23(25,26)18-5-1-3-16(29-18)21-31-22(17-4-2-9-34(17)32-21)28-14-6-8-27-19(11-14)30-20(36)13-33-10-7-15(35)12-33;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;7-6(10)4-8-2-1-5(9)3-8;6-4-1-2-5-3-4;3-1-2(4)5/h1-6,8-9,11,15,35H,7,10,12-13H2,(H2,27,28,30,31,32,36);1-9H,(H,22,23,25,26);5,9H,1-4H2,(H2,7,10);4-6H,1-3H2;1H2,(H2,4,5)/t15-;;5-;4-;/m0.00./s1.

What are the key properties of 2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide;2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;(3S)-pyrrolidin-3-ol?

2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide;2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;(3S)-pyrrolidin-3-ol has a molecular weight of 1302.94 g/mol, XLogP of 5.41, 12 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide;2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;(3S)-pyrrolidin-3-ol is sourced from PubChem (CID 162123697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).