1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea

C125H149F3N38O17 — CID 163763344

About 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea

1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 163763344) has the molecular formula C125H149F3N38O17 and a molecular weight of 2512.81 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

• Compound Name: 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
• PubChem CID: 163763344
• Molecular Formula: C125H149F3N38O17
• Molecular Weight: 2512.81 g/mol
• Exact Mass: 2511.19
• IUPAC Name: 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
• SMILES: C[C@@H](O)CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.C[C@H](O)CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.O=C(NCC(F)(F)F)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.O=C(NCCCN1CCOCC1)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.O=C(NCCN1CCOCC1)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.O=C(NCCO)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1
• InChI: InChI=1S/C24H31N7O3.C23H29N7O3.2C20H24N6O3.C19H19F3N6O2.C19H22N6O3/c32-24(25-8-2-9-29-11-15-33-16-12-29)26-20-6-4-19(5-7-20)22-27-23(30-13-17-34-18-14-30)21-3-1-10-31(21)28-22;31-23(24-7-9-28-10-14-32-15-11-28)25-19-5-3-18(4-6-19)21-26-22(29-12-16-33-17-13-29)20-2-1-8-30(20)27-21;2*1-14(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;26-11-7-20-19(27)21-15-5-3-14(4-6-15)17-22-18(24-9-12-28-13-10-24)16-2-1-8-25(16)23-17/h1,3-7,10H,2,8-9,11-18H2,(H2,25,26,32);1-6,8H,7,9-17H2,(H2,24,25,31);2*2-8,14,27H,9-13H2,1H3,(H2,21,22,28);1-7H,8-12H2,(H2,23,24,29);1-6,8,26H,7,9-13H2,(H2,20,21,27)/t;;2*14-;;/m..10../s1
• InChIKey: MACNHIPCFYZUTR-SGJPMZNBSA-N
• XLogP: 11.50
• TPSA: 588.37 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 43
• Rotatable Bonds: 32
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2512.81
LogP ≤ 5	11.50
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea?

The IUPAC name of 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 163763344) is 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea.

What is the SMILES notation for 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea?

The canonical SMILES for 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea is C[C@@H](O)CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.C[C@H](O)CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.O=C(NCC(F)(F)F)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.O=C(NCCCN1CCOCC1)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.O=C(NCCN1CCOCC1)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.O=C(NCCO)Nc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1.

What is the InChIKey of 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea?

The InChIKey is MACNHIPCFYZUTR-SGJPMZNBSA-N. The full InChI is InChI=1S/C24H31N7O3.C23H29N7O3.2C20H24N6O3.C19H19F3N6O2.C19H22N6O3/c32-24(25-8-2-9-29-11-15-33-16-12-29)26-20-6-4-19(5-7-20)22-27-23(30-13-17-34-18-14-30)21-3-1-10-31(21)28-22;31-23(24-7-9-28-10-14-32-15-11-28)25-19-5-3-18(4-6-19)21-26-22(29-12-16-33-17-13-29)20-2-1-8-30(20)27-21;2*1-14(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;26-11-7-20-19(27)21-15-5-3-14(4-6-15)17-22-18(24-9-12-28-13-10-24)16-2-1-8-25(16)23-17/h1,3-7,10H,2,8-9,11-18H2,(H2,25,26,32);1-6,8H,7,9-17H2,(H2,24,25,31);2*2-8,14,27H,9-13H2,1H3,(H2,21,22,28);1-7H,8-12H2,(H2,23,24,29);1-6,8,26H,7,9-13H2,(H2,20,21,27)/t;;2*14-;;/m..10../s1.

What are the key properties of 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea?

1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 2512.81 g/mol, XLogP of 11.50, 32 rotatable bonds, 15 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-hydroxyethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2S)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(2-morpholin-4-ylethyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-(3-morpholin-4-ylpropyl)-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 163763344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).