1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine

C87H91F9N32O8 — CID 159365484

About 1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine

1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 159365484) has the molecular formula C87H91F9N32O8 and a molecular weight of 1883.88 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
• PubChem CID: 159365484
• Molecular Formula: C87H91F9N32O8
• Molecular Weight: 1883.88 g/mol
• Exact Mass: 1882.76
• IUPAC Name: 1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
• SMILES: C=C(C)c1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12.C[C@@H](O)CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3cccn3n2)cn1.Nc1ncc(-c2nc(N3CCOCC3)c3cccn3n2)c(C(F)(F)F)n1.O=C(NCC(F)(F)F)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1
• InChI: InChI=1S/C20H24N6O3.C19H19F3N6O2.C17H19N7O.C16H15F3N6O.C15H14F3N7O/c1-14(27)13-21-20(28)22-16-6-4-15(5-7-16)18-23-19(25-9-11-29-12-10-25)17-3-2-8-26(17)24-18;20-19(21,22)12-23-18(29)24-14-5-3-13(4-6-14)16-25-17(27-8-10-30-11-9-27)15-2-1-7-28(15)26-16;1-11(2)13-3-4-14-16(23-5-7-25-8-6-23)21-15(22-24(13)14)12-9-19-17(18)20-10-12;17-16(18,19)11-8-13(20)21-9-10(11)14-22-15(24-4-6-26-7-5-24)12-2-1-3-25(12)23-14;16-15(17,18)11-9(8-20-14(19)21-11)12-22-13(24-4-6-26-7-5-24)10-2-1-3-25(10)23-12/h2-8,14,27H,9-13H2,1H3,(H2,21,22,28);1-7H,8-12H2,(H2,23,24,29);3-4,9-10H,1,5-8H2,2H3,(H2,18,19,20);1-3,8-9H,4-7H2,(H2,20,21);1-3,8H,4-7H2,(H2,19,20,21)/t14-;;;;/m1..../s1
• InChIKey: LJBPJKRQHJTBRF-WGVOJFRMSA-N
• XLogP: 10.14
• TPSA: 458.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 16
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1883.88
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?

The IUPAC name of 1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 159365484) is 1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.

What is the SMILES notation for 1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?

The canonical SMILES for 1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine is C=C(C)c1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12.C[C@@H](O)CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3cccn3n2)cn1.Nc1ncc(-c2nc(N3CCOCC3)c3cccn3n2)c(C(F)(F)F)n1.O=C(NCC(F)(F)F)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.

What is the InChIKey of 1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?

The InChIKey is LJBPJKRQHJTBRF-WGVOJFRMSA-N. The full InChI is InChI=1S/C20H24N6O3.C19H19F3N6O2.C17H19N7O.C16H15F3N6O.C15H14F3N7O/c1-14(27)13-21-20(28)22-16-6-4-15(5-7-16)18-23-19(25-9-11-29-12-10-25)17-3-2-8-26(17)24-18;20-19(21,22)12-23-18(29)24-14-5-3-13(4-6-14)16-25-17(27-8-10-30-11-9-27)15-2-1-7-28(15)26-16;1-11(2)13-3-4-14-16(23-5-7-25-8-6-23)21-15(22-24(13)14)12-9-19-17(18)20-10-12;17-16(18,19)11-8-13(20)21-9-10(11)14-22-15(24-4-6-26-7-5-24)12-2-1-3-25(12)23-14;16-15(17,18)11-9(8-20-14(19)21-11)12-22-13(24-4-6-26-7-5-24)10-2-1-3-25(10)23-12/h2-8,14,27H,9-13H2,1H3,(H2,21,22,28);1-7H,8-12H2,(H2,23,24,29);3-4,9-10H,1,5-8H2,2H3,(H2,18,19,20);1-3,8-9H,4-7H2,(H2,20,21);1-3,8H,4-7H2,(H2,19,20,21)/t14-;;;;/m1..../s1.

What are the key properties of 1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?

1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 1883.88 g/mol, XLogP of 10.14, 16 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 159365484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).