2-chloro-N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol

C61H58Cl3F9N20O5 — CID 167655684

About 2-chloro-N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol

2-chloro-N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 167655684) has the molecular formula C61H58Cl3F9N20O5 and a molecular weight of 1428.61 g/mol. Its IUPAC name is 2-chloro-N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: 2-chloro-N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
• PubChem CID: 167655684
• Molecular Formula: C61H58Cl3F9N20O5
• Molecular Weight: 1428.61 g/mol
• Exact Mass: 1426.38
• IUPAC Name: 2-chloro-N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
• SMILES: COc1ccc(-n2cnc(N)c2)cc1C(F)(F)F.COc1ccc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)cc1C(F)(F)F.COc1ccc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nn4cccc34)c2)cc1C(F)(F)F.Clc1nc(Cl)c2cccn2n1.OC[C@@H]1CCCN1
• InChI: InChI=1S/C22H22F3N7O2.C17H12ClF3N6O.C11H10F3N3O.C6H3Cl2N3.C5H11NO/c1-34-18-7-6-14(10-16(18)22(23,24)25)30-11-19(26-13-30)27-20-17-5-3-9-32(17)29-21(28-20)31-8-2-4-15(31)12-33;1-28-13-5-4-10(7-11(13)17(19,20)21)26-8-14(22-9-26)23-15-12-3-2-6-27(12)25-16(18)24-15;1-18-9-3-2-7(4-8(9)11(12,13)14)17-5-10(15)16-6-17;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h3,5-7,9-11,13,15,33H,2,4,8,12H2,1H3,(H,27,28,29);2-9H,1H3,(H,23,24,25);2-6H,15H2,1H3;1-3H;5-7H,1-4H2/t15-;;;;5-/m0...0/s1
• InChIKey: RFLGXVBMTGSWEY-HIKDPHHVSA-N
• XLogP: 12.24
• TPSA: 277.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1428.61
LogP ≤ 5	12.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol?

The IUPAC name of 2-chloro-N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol (CID 167655684) is 2-chloro-N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol.

What is the SMILES notation for 2-chloro-N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol?

The canonical SMILES for 2-chloro-N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol is COc1ccc(-n2cnc(N)c2)cc1C(F)(F)F.COc1ccc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)cc1C(F)(F)F.COc1ccc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nn4cccc34)c2)cc1C(F)(F)F.Clc1nc(Cl)c2cccn2n1.OC[C@@H]1CCCN1.

What is the InChIKey of 2-chloro-N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol?

The InChIKey is RFLGXVBMTGSWEY-HIKDPHHVSA-N. The full InChI is InChI=1S/C22H22F3N7O2.C17H12ClF3N6O.C11H10F3N3O.C6H3Cl2N3.C5H11NO/c1-34-18-7-6-14(10-16(18)22(23,24)25)30-11-19(26-13-30)27-20-17-5-3-9-32(17)29-21(28-20)31-8-2-4-15(31)12-33;1-28-13-5-4-10(7-11(13)17(19,20)21)26-8-14(22-9-26)23-15-12-3-2-6-27(12)25-16(18)24-15;1-18-9-3-2-7(4-8(9)11(12,13)14)17-5-10(15)16-6-17;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h3,5-7,9-11,13,15,33H,2,4,8,12H2,1H3,(H,27,28,29);2-9H,1H3,(H,23,24,25);2-6H,15H2,1H3;1-3H;5-7H,1-4H2/t15-;;;;5-/m0...0/s1.

What are the key properties of 2-chloro-N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol?

2-chloro-N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 1428.61 g/mol, XLogP of 12.24, 13 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167655684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).