2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol;1-[2-(dimethylamino)ethyl]-3-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea;[2-methoxy-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]methanol;N-methyl-3-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)benzamide;2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-1-phenylguanidine

C98H112N30O10 — CID 157480521

About 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol;1-[2-(dimethylamino)ethyl]-3-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea;[2-methoxy-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]methanol;N-methyl-3-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)benzamide;2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-1-phenylguanidine

2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol;1-[2-(dimethylamino)ethyl]-3-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea;[2-methoxy-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]methanol;N-methyl-3-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)benzamide;2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-1-phenylguanidine (PubChem CID 157480521) has the molecular formula C98H112N30O10 and a molecular weight of 1870.17 g/mol. Its IUPAC name is 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol;1-[2-(dimethylamino)ethyl]-3-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea;[2-methoxy-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]methanol;N-methyl-3-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)benzamide;2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-1-phenylguanidine.

Molecular Properties

• Compound Name: 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol;1-[2-(dimethylamino)ethyl]-3-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea;[2-methoxy-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]methanol;N-methyl-3-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)benzamide;2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-1-phenylguanidine
• PubChem CID: 157480521
• Molecular Formula: C98H112N30O10
• Molecular Weight: 1870.17 g/mol
• Exact Mass: 1868.92
• IUPAC Name: 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol;1-[2-(dimethylamino)ethyl]-3-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea;[2-methoxy-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]methanol;N-methyl-3-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)benzamide;2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-1-phenylguanidine
• SMILES: CC(C)(O)c1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12.CNC(=O)c1cccc(-c2nc(N3CCOCC3)c3cccn3n2)c1.COc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1CO.C[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)NCCN(C)C)cc2)nn2cccc12.N/C(=N\c1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1)Nc1ccccc1
• InChI: InChI=1S/C23H23N7O.C22H29N7O2.C18H19N5O2.C18H20N4O3.C17H21N7O2/c24-23(25-18-5-2-1-3-6-18)26-19-10-8-17(9-11-19)21-27-22(29-13-15-31-16-14-29)20-7-4-12-30(20)28-21;1-16-15-31-14-13-28(16)21-19-5-4-11-29(19)26-20(25-21)17-6-8-18(9-7-17)24-22(30)23-10-12-27(2)3;1-19-18(24)14-5-2-4-13(12-14)16-20-17(22-8-10-25-11-9-22)15-6-3-7-23(15)21-16;1-24-16-5-4-13(11-14(16)12-23)17-19-18(21-7-9-25-10-8-21)15-3-2-6-22(15)20-17;1-17(2,25)13-4-3-12-15(23-5-7-26-8-6-23)21-14(22-24(12)13)11-9-19-16(18)20-10-11/h1-12H,13-16H2,(H3,24,25,26);4-9,11,16H,10,12-15H2,1-3H3,(H2,23,24,30);2-7,12H,8-11H2,1H3,(H,19,24);2-6,11,23H,7-10,12H2,1H3;3-4,9-10,25H,5-8H2,1-2H3,(H2,18,19,20)/t;16-;;;/m.1.../s1
• InChIKey: BWCKHVGFOPWZAX-HOPGCNRRSA-N
• XLogP: 9.75
• TPSA: 438.67 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 20
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1870.17
LogP ≤ 5	9.75
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol;1-[2-(dimethylamino)ethyl]-3-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea;[2-methoxy-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]methanol;N-methyl-3-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)benzamide;2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-1-phenylguanidine?

The IUPAC name of 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol;1-[2-(dimethylamino)ethyl]-3-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea;[2-methoxy-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]methanol;N-methyl-3-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)benzamide;2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-1-phenylguanidine (CID 157480521) is 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol;1-[2-(dimethylamino)ethyl]-3-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea;[2-methoxy-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]methanol;N-methyl-3-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)benzamide;2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-1-phenylguanidine.

What is the SMILES notation for 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol;1-[2-(dimethylamino)ethyl]-3-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea;[2-methoxy-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]methanol;N-methyl-3-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)benzamide;2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-1-phenylguanidine?

The canonical SMILES for 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol;1-[2-(dimethylamino)ethyl]-3-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea;[2-methoxy-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]methanol;N-methyl-3-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)benzamide;2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-1-phenylguanidine is CC(C)(O)c1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12.CNC(=O)c1cccc(-c2nc(N3CCOCC3)c3cccn3n2)c1.COc1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1CO.C[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)NCCN(C)C)cc2)nn2cccc12.N/C(=N\c1ccc(-c2nc(N3CCOCC3)c3cccn3n2)cc1)Nc1ccccc1.

What is the InChIKey of 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol;1-[2-(dimethylamino)ethyl]-3-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea;[2-methoxy-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]methanol;N-methyl-3-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)benzamide;2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-1-phenylguanidine?

The InChIKey is BWCKHVGFOPWZAX-HOPGCNRRSA-N. The full InChI is InChI=1S/C23H23N7O.C22H29N7O2.C18H19N5O2.C18H20N4O3.C17H21N7O2/c24-23(25-18-5-2-1-3-6-18)26-19-10-8-17(9-11-19)21-27-22(29-13-15-31-16-14-29)20-7-4-12-30(20)28-21;1-16-15-31-14-13-28(16)21-19-5-4-11-29(19)26-20(25-21)17-6-8-18(9-7-17)24-22(30)23-10-12-27(2)3;1-19-18(24)14-5-2-4-13(12-14)16-20-17(22-8-10-25-11-9-22)15-6-3-7-23(15)21-16;1-24-16-5-4-13(11-14(16)12-23)17-19-18(21-7-9-25-10-8-21)15-3-2-6-22(15)20-17;1-17(2,25)13-4-3-12-15(23-5-7-26-8-6-23)21-14(22-24(12)13)11-9-19-16(18)20-10-11/h1-12H,13-16H2,(H3,24,25,26);4-9,11,16H,10,12-15H2,1-3H3,(H2,23,24,30);2-7,12H,8-11H2,1H3,(H,19,24);2-6,11,23H,7-10,12H2,1H3;3-4,9-10,25H,5-8H2,1-2H3,(H2,18,19,20)/t;16-;;;/m.1.../s1.

What are the key properties of 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol;1-[2-(dimethylamino)ethyl]-3-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea;[2-methoxy-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]methanol;N-methyl-3-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)benzamide;2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-1-phenylguanidine?

2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol;1-[2-(dimethylamino)ethyl]-3-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea;[2-methoxy-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]methanol;N-methyl-3-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)benzamide;2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-1-phenylguanidine has a molecular weight of 1870.17 g/mol, XLogP of 9.75, 20 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol;1-[2-(dimethylamino)ethyl]-3-[4-[4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea;[2-methoxy-5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]methanol;N-methyl-3-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)benzamide;2-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-1-phenylguanidine is sourced from PubChem (CID 157480521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).