2-chloro-N-(1-quinolin-5-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;1-quinolin-5-ylimidazol-4-amine;[(2S)-1-[4-[(1-quinolin-5-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol

C64H58Cl3N23O2 — CID 167649956

About 2-chloro-N-(1-quinolin-5-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;1-quinolin-5-ylimidazol-4-amine;[(2S)-1-[4-[(1-quinolin-5-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol

2-chloro-N-(1-quinolin-5-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;1-quinolin-5-ylimidazol-4-amine;[(2S)-1-[4-[(1-quinolin-5-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 167649956) has the molecular formula C64H58Cl3N23O2 and a molecular weight of 1287.69 g/mol. Its IUPAC name is 2-chloro-N-(1-quinolin-5-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;1-quinolin-5-ylimidazol-4-amine;[(2S)-1-[4-[(1-quinolin-5-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: 2-chloro-N-(1-quinolin-5-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;1-quinolin-5-ylimidazol-4-amine;[(2S)-1-[4-[(1-quinolin-5-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
• PubChem CID: 167649956
• Molecular Formula: C64H58Cl3N23O2
• Molecular Weight: 1287.69 g/mol
• Exact Mass: 1285.42
• IUPAC Name: 2-chloro-N-(1-quinolin-5-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;1-quinolin-5-ylimidazol-4-amine;[(2S)-1-[4-[(1-quinolin-5-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
• SMILES: Clc1nc(Cl)c2cccn2n1.Clc1nc(Nc2cn(-c3cccc4ncccc34)cn2)c2cccn2n1.Nc1cn(-c2cccc3ncccc23)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3cccc4ncccc34)cn2)c2cccn2n1
• InChI: InChI=1S/C23H22N8O.C18H12ClN7.C12H10N4.C6H3Cl2N3.C5H11NO/c32-14-16-5-3-11-30(16)23-27-22(20-9-4-12-31(20)28-23)26-21-13-29(15-25-21)19-8-1-7-18-17(19)6-2-10-24-18;19-18-23-17(15-7-3-9-26(15)24-18)22-16-10-25(11-21-16)14-6-1-5-13-12(14)4-2-8-20-13;13-12-7-16(8-15-12)11-5-1-4-10-9(11)3-2-6-14-10;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h1-2,4,6-10,12-13,15-16,32H,3,5,11,14H2,(H,26,27,28);1-11H,(H,22,23,24);1-8H,13H2;1-3H;5-7H,1-4H2/t16-;;;;5-/m0...0/s1
• InChIKey: QKUFFHVSHIDJLX-ZADWPAQNSA-N
• XLogP: 10.80
• TPSA: 288.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1287.69
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-quinolin-5-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;1-quinolin-5-ylimidazol-4-amine;[(2S)-1-[4-[(1-quinolin-5-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?

The IUPAC name of 2-chloro-N-(1-quinolin-5-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;1-quinolin-5-ylimidazol-4-amine;[(2S)-1-[4-[(1-quinolin-5-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol (CID 167649956) is 2-chloro-N-(1-quinolin-5-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;1-quinolin-5-ylimidazol-4-amine;[(2S)-1-[4-[(1-quinolin-5-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol.

What is the SMILES notation for 2-chloro-N-(1-quinolin-5-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;1-quinolin-5-ylimidazol-4-amine;[(2S)-1-[4-[(1-quinolin-5-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?

The canonical SMILES for 2-chloro-N-(1-quinolin-5-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;1-quinolin-5-ylimidazol-4-amine;[(2S)-1-[4-[(1-quinolin-5-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol is Clc1nc(Cl)c2cccn2n1.Clc1nc(Nc2cn(-c3cccc4ncccc34)cn2)c2cccn2n1.Nc1cn(-c2cccc3ncccc23)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3cccc4ncccc34)cn2)c2cccn2n1.

What is the InChIKey of 2-chloro-N-(1-quinolin-5-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;1-quinolin-5-ylimidazol-4-amine;[(2S)-1-[4-[(1-quinolin-5-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?

The InChIKey is QKUFFHVSHIDJLX-ZADWPAQNSA-N. The full InChI is InChI=1S/C23H22N8O.C18H12ClN7.C12H10N4.C6H3Cl2N3.C5H11NO/c32-14-16-5-3-11-30(16)23-27-22(20-9-4-12-31(20)28-23)26-21-13-29(15-25-21)19-8-1-7-18-17(19)6-2-10-24-18;19-18-23-17(15-7-3-9-26(15)24-18)22-16-10-25(11-21-16)14-6-1-5-13-12(14)4-2-8-20-13;13-12-7-16(8-15-12)11-5-1-4-10-9(11)3-2-6-14-10;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h1-2,4,6-10,12-13,15-16,32H,3,5,11,14H2,(H,26,27,28);1-11H,(H,22,23,24);1-8H,13H2;1-3H;5-7H,1-4H2/t16-;;;;5-/m0...0/s1.

What are the key properties of 2-chloro-N-(1-quinolin-5-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;1-quinolin-5-ylimidazol-4-amine;[(2S)-1-[4-[(1-quinolin-5-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol?

2-chloro-N-(1-quinolin-5-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;1-quinolin-5-ylimidazol-4-amine;[(2S)-1-[4-[(1-quinolin-5-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 1287.69 g/mol, XLogP of 10.80, 10 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(1-quinolin-5-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;1-quinolin-5-ylimidazol-4-amine;[(2S)-1-[4-[(1-quinolin-5-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167649956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).