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

C52H52Cl3N23O2 — CID 167620091

About 2-chloro-N-(1-pyridin-2-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-pyridin-2-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-2-ylimidazol-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-pyridin-2-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-pyridin-2-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 167620091) has the molecular formula C52H52Cl3N23O2 and a molecular weight of 1137.51 g/mol. Its IUPAC name is 2-chloro-N-(1-pyridin-2-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-pyridin-2-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-2-ylimidazol-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-pyridin-2-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-pyridin-2-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
• PubChem CID: 167620091
• Molecular Formula: C52H52Cl3N23O2
• Molecular Weight: 1137.51 g/mol
• Exact Mass: 1135.37
• IUPAC Name: 2-chloro-N-(1-pyridin-2-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-pyridin-2-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
• SMILES: Clc1nc(Cl)c2cccn2n1.Clc1nc(Nc2cn(-c3ccccn3)cn2)c2cccn2n1.Nc1cn(-c2ccccn2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccccn3)cn2)c2cccn2n1
• InChI: InChI=1S/C19H20N8O.C14H10ClN7.C8H8N4.C6H3Cl2N3.C5H11NO/c28-12-14-5-3-9-26(14)19-23-18(15-6-4-10-27(15)24-19)22-16-11-25(13-21-16)17-7-1-2-8-20-17;15-14-19-13(10-4-3-7-22(10)20-14)18-11-8-21(9-17-11)12-5-1-2-6-16-12;9-7-5-12(6-11-7)8-3-1-2-4-10-8;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h1-2,4,6-8,10-11,13-14,28H,3,5,9,12H2,(H,22,23,24);1-9H,(H,18,19,20);1-6H,9H2;1-3H;5-7H,1-4H2/t14-;;;;5-/m0...0/s1
• InChIKey: MHXITQOUCILQJC-YACGQVLNSA-N
• XLogP: 7.34
• TPSA: 288.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1137.51
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-pyridin-2-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-pyridin-2-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-2-ylimidazol-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-pyridin-2-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-pyridin-2-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol (CID 167620091) is 2-chloro-N-(1-pyridin-2-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-pyridin-2-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-2-ylimidazol-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-pyridin-2-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-pyridin-2-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-2-ylimidazol-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-pyridin-2-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-pyridin-2-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol is Clc1nc(Cl)c2cccn2n1.Clc1nc(Nc2cn(-c3ccccn3)cn2)c2cccn2n1.Nc1cn(-c2ccccn2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccccn3)cn2)c2cccn2n1.

What is the InChIKey of 2-chloro-N-(1-pyridin-2-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-pyridin-2-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-2-ylimidazol-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 MHXITQOUCILQJC-YACGQVLNSA-N. The full InChI is InChI=1S/C19H20N8O.C14H10ClN7.C8H8N4.C6H3Cl2N3.C5H11NO/c28-12-14-5-3-9-26(14)19-23-18(15-6-4-10-27(15)24-19)22-16-11-25(13-21-16)17-7-1-2-8-20-17;15-14-19-13(10-4-3-7-22(10)20-14)18-11-8-21(9-17-11)12-5-1-2-6-16-12;9-7-5-12(6-11-7)8-3-1-2-4-10-8;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h1-2,4,6-8,10-11,13-14,28H,3,5,9,12H2,(H,22,23,24);1-9H,(H,18,19,20);1-6H,9H2;1-3H;5-7H,1-4H2/t14-;;;;5-/m0...0/s1.

What are the key properties of 2-chloro-N-(1-pyridin-2-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-pyridin-2-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-2-ylimidazol-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-pyridin-2-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-pyridin-2-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-2-ylimidazol-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 1137.51 g/mol, XLogP of 7.34, 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-pyridin-2-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-pyridin-2-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-2-ylimidazol-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 167620091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).