2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;morpholine;2-morpholin-4-ylacetamide;2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide

C52H56Br2F6N18O6 — CID 161230163

IUPAC2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;morpholine;2-morpholin-4-ylacetamide;2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
SMILESC1COCCN1.FC(F)(F)c1cccc(-c2nc(Nc3ccnc(Br)c3)c3cccn3n2)n1.NC(=O)CBr.NC(=O)CN1CCOCC1.O=C(CN1CCOCC1)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1
InChIInChI=1S/C23H21F3N8O2.C17H10BrF3N6.C6H12N2O2.C4H9NO.C2H4BrNO/c24-23(25,26)18-5-1-3-16(29-18)21-31-22(17-4-2-8-34(17)32-21)28-15-6-7-27-19(13-15)30-20(35)14-33-9-11-36-12-10-33;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(9)5-8-1-3-10-4-2-8;1-3-6-4-2-5-1;3-1-2(4)5/h1-8,13H,9-12,14H2,(H2,27,28,30,31,32,35);1-9H,(H,22,23,25,26);1-5H2,(H2,7,9);5H,1-4H2;1H2,(H2,4,5)
InChIKeyUYQKXYXRQSEBCY-UHFFFAOYSA-N
MW1302.94 g/mol
LogP6.21
Rot. Bonds12

About 2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;morpholine;2-morpholin-4-ylacetamide;2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide

2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;morpholine;2-morpholin-4-ylacetamide;2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide (PubChem CID 161230163) 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;morpholine;2-morpholin-4-ylacetamide;2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;morpholine;2-morpholin-4-ylacetamide;2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
PubChem CID161230163
Molecular FormulaC52H56Br2F6N18O6
Molecular Weight1302.94 g/mol
Exact Mass1300.29
IUPAC Name2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;morpholine;2-morpholin-4-ylacetamide;2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
SMILESC1COCCN1.FC(F)(F)c1cccc(-c2nc(Nc3ccnc(Br)c3)c3cccn3n2)n1.NC(=O)CBr.NC(=O)CN1CCOCC1.O=C(CN1CCOCC1)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1
InChIInChI=1S/C23H21F3N8O2.C17H10BrF3N6.C6H12N2O2.C4H9NO.C2H4BrNO/c24-23(25,26)18-5-1-3-16(29-18)21-31-22(17-4-2-8-34(17)32-21)28-15-6-7-27-19(13-15)30-20(35)14-33-9-11-36-12-10-33;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(9)5-8-1-3-10-4-2-8;1-3-6-4-2-5-1;3-1-2(4)5/h1-8,13H,9-12,14H2,(H2,27,28,30,31,32,35);1-9H,(H,22,23,25,26);1-5H2,(H2,7,9);5H,1-4H2;1H2,(H2,4,5)
InChIKeyUYQKXYXRQSEBCY-UHFFFAOYSA-N
XLogP6.21
TPSA297.48 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001302.94
LogP ≤ 56.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;morpholine;2-morpholin-4-ylacetamide;2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide with MolForge

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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;morpholine;2-morpholin-4-ylacetamide;2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
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;morpholine;2-morpholin-4-ylacetamide;2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide (CID 161230163) is 2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;morpholine;2-morpholin-4-ylacetamide;2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide.
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;morpholine;2-morpholin-4-ylacetamide;2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
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;morpholine;2-morpholin-4-ylacetamide;2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide is C1COCCN1.FC(F)(F)c1cccc(-c2nc(Nc3ccnc(Br)c3)c3cccn3n2)n1.NC(=O)CBr.NC(=O)CN1CCOCC1.O=C(CN1CCOCC1)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1.
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;morpholine;2-morpholin-4-ylacetamide;2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is UYQKXYXRQSEBCY-UHFFFAOYSA-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(17-4-2-8-34(17)32-21)28-15-6-7-27-19(13-15)30-20(35)14-33-9-11-36-12-10-33;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(9)5-8-1-3-10-4-2-8;1-3-6-4-2-5-1;3-1-2(4)5/h1-8,13H,9-12,14H2,(H2,27,28,30,31,32,35);1-9H,(H,22,23,25,26);1-5H2,(H2,7,9);5H,1-4H2;1H2,(H2,4,5).
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;morpholine;2-morpholin-4-ylacetamide;2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
2-bromoacetamide;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;morpholine;2-morpholin-4-ylacetamide;2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 1302.94 g/mol, XLogP of 6.21, 12 rotatable bonds, 6 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;morpholine;2-morpholin-4-ylacetamide;2-morpholin-4-yl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 161230163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).