1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;2-fluoro-N-methyl-4-[[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzamide;1-[4-[7-(2-hydroxypropan-2-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea

C135H143F4N37O14 — CID 159695567

About 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;2-fluoro-N-methyl-4-[[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzamide;1-[4-[7-(2-hydroxypropan-2-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea

1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;2-fluoro-N-methyl-4-[[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzamide;1-[4-[7-(2-hydroxypropan-2-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea (PubChem CID 159695567) has the molecular formula C135H143F4N37O14 and a molecular weight of 2583.87 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;2-fluoro-N-methyl-4-[[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzamide;1-[4-[7-(2-hydroxypropan-2-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea.

Molecular Properties

• Compound Name: 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;2-fluoro-N-methyl-4-[[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzamide;1-[4-[7-(2-hydroxypropan-2-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea
• PubChem CID: 159695567
• Molecular Formula: C135H143F4N37O14
• Molecular Weight: 2583.87 g/mol
• Exact Mass: 2582.16
• IUPAC Name: 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;2-fluoro-N-methyl-4-[[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzamide;1-[4-[7-(2-hydroxypropan-2-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea
• SMILES: CC(C)(O)c1ccc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4cccnc4)cc3)nn12.CNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cccn4n3)cc2)cc1F.Cc1ccc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCC(N(C)C)CC5)cc4)cc3)nn12.Cc1ccc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)nn12.O=C(Nc1ccc(-c2nc(N3CCOCC3)c3ccc(C(F)(F)F)n3n2)cc1)Nc1cccnc1
• InChI: InChI=1S/C32H38N8O3.C30H34N8O3.C25H24FN7O3.C25H27N7O3.C23H20F3N7O2/c1-22-4-13-28-30(38-18-20-43-21-19-38)35-29(36-40(22)28)23-5-9-25(10-6-23)33-32(42)34-26-11-7-24(8-12-26)31(41)39-16-14-27(15-17-39)37(2)3;1-21-3-12-26-28(36-17-19-41-20-18-36)33-27(34-38(21)26)22-4-8-24(9-5-22)31-30(40)32-25-10-6-23(7-11-25)29(39)37-15-13-35(2)14-16-37;1-27-24(34)19-9-8-18(15-20(19)26)29-25(35)28-17-6-4-16(5-7-17)22-30-23(32-11-13-36-14-12-32)21-3-2-10-33(21)31-22;1-25(2,34)21-10-9-20-23(31-12-14-35-15-13-31)29-22(30-32(20)21)17-5-7-18(8-6-17)27-24(33)28-19-4-3-11-26-16-19;24-23(25,26)19-8-7-18-21(32-10-12-35-13-11-32)30-20(31-33(18)19)15-3-5-16(6-4-15)28-22(34)29-17-2-1-9-27-14-17/h4-13,27H,14-21H2,1-3H3,(H2,33,34,42);3-12H,13-20H2,1-2H3,(H2,31,32,40);2-10,15H,11-14H2,1H3,(H,27,34)(H2,28,29,35);3-11,16,34H,12-15H2,1-2H3,(H2,27,28,33);1-9,14H,10-13H2,(H2,28,29,34)
• InChIKey: MWYPFHUDSISLRA-UHFFFAOYSA-N
• XLogP: 19.09
• TPSA: 541.16 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2583.87
LogP ≤ 5	19.09
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;2-fluoro-N-methyl-4-[[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzamide;1-[4-[7-(2-hydroxypropan-2-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea?

The IUPAC name of 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;2-fluoro-N-methyl-4-[[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzamide;1-[4-[7-(2-hydroxypropan-2-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea (CID 159695567) is 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;2-fluoro-N-methyl-4-[[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzamide;1-[4-[7-(2-hydroxypropan-2-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea.

What is the SMILES notation for 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;2-fluoro-N-methyl-4-[[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzamide;1-[4-[7-(2-hydroxypropan-2-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea?

The canonical SMILES for 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;2-fluoro-N-methyl-4-[[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzamide;1-[4-[7-(2-hydroxypropan-2-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea is CC(C)(O)c1ccc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4cccnc4)cc3)nn12.CNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cccn4n3)cc2)cc1F.Cc1ccc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCC(N(C)C)CC5)cc4)cc3)nn12.Cc1ccc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)nn12.O=C(Nc1ccc(-c2nc(N3CCOCC3)c3ccc(C(F)(F)F)n3n2)cc1)Nc1cccnc1.

What is the InChIKey of 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;2-fluoro-N-methyl-4-[[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzamide;1-[4-[7-(2-hydroxypropan-2-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea?

The InChIKey is MWYPFHUDSISLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N8O3.C30H34N8O3.C25H24FN7O3.C25H27N7O3.C23H20F3N7O2/c1-22-4-13-28-30(38-18-20-43-21-19-38)35-29(36-40(22)28)23-5-9-25(10-6-23)33-32(42)34-26-11-7-24(8-12-26)31(41)39-16-14-27(15-17-39)37(2)3;1-21-3-12-26-28(36-17-19-41-20-18-36)33-27(34-38(21)26)22-4-8-24(9-5-22)31-30(40)32-25-10-6-23(7-11-25)29(39)37-15-13-35(2)14-16-37;1-27-24(34)19-9-8-18(15-20(19)26)29-25(35)28-17-6-4-16(5-7-17)22-30-23(32-11-13-36-14-12-32)21-3-2-10-33(21)31-22;1-25(2,34)21-10-9-20-23(31-12-14-35-15-13-31)29-22(30-32(20)21)17-5-7-18(8-6-17)27-24(33)28-19-4-3-11-26-16-19;24-23(25,26)19-8-7-18-21(32-10-12-35-13-11-32)30-20(31-33(18)19)15-3-5-16(6-4-15)28-22(34)29-17-2-1-9-27-14-17/h4-13,27H,14-21H2,1-3H3,(H2,33,34,42);3-12H,13-20H2,1-2H3,(H2,31,32,40);2-10,15H,11-14H2,1H3,(H,27,34)(H2,28,29,35);3-11,16,34H,12-15H2,1-2H3,(H2,27,28,33);1-9,14H,10-13H2,(H2,28,29,34).

What are the key properties of 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;2-fluoro-N-methyl-4-[[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzamide;1-[4-[7-(2-hydroxypropan-2-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea?

1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;2-fluoro-N-methyl-4-[[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzamide;1-[4-[7-(2-hydroxypropan-2-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea has a molecular weight of 2583.87 g/mol, XLogP of 19.09, 25 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;2-fluoro-N-methyl-4-[[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzamide;1-[4-[7-(2-hydroxypropan-2-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 159695567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).