2-chloro-N-(1-pyridin-4-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-iodopyridine;methane;molecular hydrogen;5-nitro-1H-imidazole;4-(4-nitroimidazol-1-yl)pyridine;1-pyridin-4-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol

C70H75Cl3IN31O6 — CID 167603268

About 2-chloro-N-(1-pyridin-4-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-iodopyridine;methane;molecular hydrogen;5-nitro-1H-imidazole;4-(4-nitroimidazol-1-yl)pyridine;1-pyridin-4-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-4-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-4-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-iodopyridine;methane;molecular hydrogen;5-nitro-1H-imidazole;4-(4-nitroimidazol-1-yl)pyridine;1-pyridin-4-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-4-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 167603268) has the molecular formula C70H75Cl3IN31O6 and a molecular weight of 1679.84 g/mol. Its IUPAC name is 2-chloro-N-(1-pyridin-4-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-iodopyridine;methane;molecular hydrogen;5-nitro-1H-imidazole;4-(4-nitroimidazol-1-yl)pyridine;1-pyridin-4-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-4-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-4-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-iodopyridine;methane;molecular hydrogen;5-nitro-1H-imidazole;4-(4-nitroimidazol-1-yl)pyridine;1-pyridin-4-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-4-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: 167603268
• Molecular Formula: C70H75Cl3IN31O6
• Molecular Weight: 1679.84 g/mol
• Exact Mass: 1677.46
• IUPAC Name: 2-chloro-N-(1-pyridin-4-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-iodopyridine;methane;molecular hydrogen;5-nitro-1H-imidazole;4-(4-nitroimidazol-1-yl)pyridine;1-pyridin-4-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
• SMILES: C.C.Clc1nc(Cl)c2cccn2n1.Clc1nc(Nc2cn(-c3ccncc3)cn2)c2cccn2n1.Ic1ccncc1.Nc1cn(-c2ccncc2)cn1.O=[N+]([O-])c1cn(-c2ccncc2)cn1.O=[N+]([O-])c1cnc[nH]1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccncc3)cn2)c2cccn2n1.[H][H]
• InChI: InChI=1S/C19H20N8O.C14H10ClN7.C8H6N4O2.C8H8N4.C6H3Cl2N3.C5H4IN.C5H11NO.C3H3N3O2.2CH4.H2/c28-12-15-3-1-9-26(15)19-23-18(16-4-2-10-27(16)24-19)22-17-11-25(13-21-17)14-5-7-20-8-6-14;15-14-19-13(11-2-1-7-22(11)20-14)18-12-8-21(9-17-12)10-3-5-16-6-4-10;13-12(14)8-5-11(6-10-8)7-1-3-9-4-2-7;9-8-5-12(6-11-8)7-1-3-10-4-2-7;7-5-4-2-1-3-11(4)10-6(8)9-5;6-5-1-3-7-4-2-5;7-4-5-2-1-3-6-5;7-6(8)3-1-4-2-5-3;;;/h2,4-8,10-11,13,15,28H,1,3,9,12H2,(H,22,23,24);1-9H,(H,18,19,20);1-6H;1-6H,9H2;1-3H;1-4H;5-7H,1-4H2;1-2H,(H,4,5);2*1H4;1H/t15-;;;;;;5-;;;;/m0.....0..../s1
• InChIKey: KAIRSOLFLZEXKG-FDLRZREUSA-N
• XLogP: 12.04
• TPSA: 447.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 13
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1679.84
LogP ≤ 5	12.04
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-pyridin-4-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-iodopyridine;methane;molecular hydrogen;5-nitro-1H-imidazole;4-(4-nitroimidazol-1-yl)pyridine;1-pyridin-4-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-4-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-4-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-iodopyridine;methane;molecular hydrogen;5-nitro-1H-imidazole;4-(4-nitroimidazol-1-yl)pyridine;1-pyridin-4-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol (CID 167603268) is 2-chloro-N-(1-pyridin-4-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-iodopyridine;methane;molecular hydrogen;5-nitro-1H-imidazole;4-(4-nitroimidazol-1-yl)pyridine;1-pyridin-4-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-4-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-4-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-iodopyridine;methane;molecular hydrogen;5-nitro-1H-imidazole;4-(4-nitroimidazol-1-yl)pyridine;1-pyridin-4-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-4-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-4-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-iodopyridine;methane;molecular hydrogen;5-nitro-1H-imidazole;4-(4-nitroimidazol-1-yl)pyridine;1-pyridin-4-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-4-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol is C.C.Clc1nc(Cl)c2cccn2n1.Clc1nc(Nc2cn(-c3ccncc3)cn2)c2cccn2n1.Ic1ccncc1.Nc1cn(-c2ccncc2)cn1.O=[N+]([O-])c1cn(-c2ccncc2)cn1.O=[N+]([O-])c1cnc[nH]1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccncc3)cn2)c2cccn2n1.[H][H].

What is the InChIKey of 2-chloro-N-(1-pyridin-4-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-iodopyridine;methane;molecular hydrogen;5-nitro-1H-imidazole;4-(4-nitroimidazol-1-yl)pyridine;1-pyridin-4-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-4-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 KAIRSOLFLZEXKG-FDLRZREUSA-N. The full InChI is InChI=1S/C19H20N8O.C14H10ClN7.C8H6N4O2.C8H8N4.C6H3Cl2N3.C5H4IN.C5H11NO.C3H3N3O2.2CH4.H2/c28-12-15-3-1-9-26(15)19-23-18(16-4-2-10-27(16)24-19)22-17-11-25(13-21-17)14-5-7-20-8-6-14;15-14-19-13(11-2-1-7-22(11)20-14)18-12-8-21(9-17-12)10-3-5-16-6-4-10;13-12(14)8-5-11(6-10-8)7-1-3-9-4-2-7;9-8-5-12(6-11-8)7-1-3-10-4-2-7;7-5-4-2-1-3-11(4)10-6(8)9-5;6-5-1-3-7-4-2-5;7-4-5-2-1-3-6-5;7-6(8)3-1-4-2-5-3;;;/h2,4-8,10-11,13,15,28H,1,3,9,12H2,(H,22,23,24);1-9H,(H,18,19,20);1-6H;1-6H,9H2;1-3H;1-4H;5-7H,1-4H2;1-2H,(H,4,5);2*1H4;1H/t15-;;;;;;5-;;;;/m0.....0..../s1.

What are the key properties of 2-chloro-N-(1-pyridin-4-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-iodopyridine;methane;molecular hydrogen;5-nitro-1H-imidazole;4-(4-nitroimidazol-1-yl)pyridine;1-pyridin-4-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-4-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-4-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-iodopyridine;methane;molecular hydrogen;5-nitro-1H-imidazole;4-(4-nitroimidazol-1-yl)pyridine;1-pyridin-4-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-4-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 1679.84 g/mol, XLogP of 12.04, 13 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(1-pyridin-4-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-iodopyridine;methane;molecular hydrogen;5-nitro-1H-imidazole;4-(4-nitroimidazol-1-yl)pyridine;1-pyridin-4-ylimidazol-4-amine;[(2S)-1-[4-[(1-pyridin-4-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 167603268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).