2-chloro-N-[1-(1H-indol-6-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-indol-6-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-indol-6-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol

C61H58Cl3N23O2 — CID 167609413

About 2-chloro-N-[1-(1H-indol-6-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-indol-6-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-indol-6-yl)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-(1H-indol-6-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-indol-6-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-indol-6-yl)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 167609413) has the molecular formula C61H58Cl3N23O2 and a molecular weight of 1251.65 g/mol. Its IUPAC name is 2-chloro-N-[1-(1H-indol-6-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-indol-6-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-indol-6-yl)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-(1H-indol-6-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-indol-6-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-indol-6-yl)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: 167609413
• Molecular Formula: C61H58Cl3N23O2
• Molecular Weight: 1251.65 g/mol
• Exact Mass: 1249.42
• IUPAC Name: 2-chloro-N-[1-(1H-indol-6-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-indol-6-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-indol-6-yl)imidazol-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(-c3ccc4cc[nH]c4c3)cn2)c2cccn2n1.Nc1cn(-c2ccc3cc[nH]c3c2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccc4cc[nH]c4c3)cn2)c2cccn2n1
• InChI: InChI=1S/C22H22N8O.C17H12ClN7.C11H10N4.C6H3Cl2N3.C5H11NO/c31-13-17-3-1-9-29(17)22-26-21(19-4-2-10-30(19)27-22)25-20-12-28(14-24-20)16-6-5-15-7-8-23-18(15)11-16;18-17-22-16(14-2-1-7-25(14)23-17)21-15-9-24(10-20-15)12-4-3-11-5-6-19-13(11)8-12;12-11-6-15(7-14-11)9-2-1-8-3-4-13-10(8)5-9;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h2,4-8,10-12,14,17,23,31H,1,3,9,13H2,(H,25,26,27);1-10,19H,(H,21,22,23);1-7,13H,12H2;1-3H;5-7H,1-4H2/t17-;;;;5-/m0...0/s1
• InChIKey: KVGRLKUPNUKKGB-PDXGBUDPSA-N
• XLogP: 10.60
• TPSA: 297.21 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1251.65
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(1H-indol-6-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-indol-6-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-indol-6-yl)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-(1H-indol-6-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-indol-6-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-indol-6-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol (CID 167609413) is 2-chloro-N-[1-(1H-indol-6-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-indol-6-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-indol-6-yl)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-(1H-indol-6-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-indol-6-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-indol-6-yl)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-(1H-indol-6-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-indol-6-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-indol-6-yl)imidazol-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(-c3ccc4cc[nH]c4c3)cn2)c2cccn2n1.Nc1cn(-c2ccc3cc[nH]c3c2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccc4cc[nH]c4c3)cn2)c2cccn2n1.

What is the InChIKey of 2-chloro-N-[1-(1H-indol-6-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-indol-6-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-indol-6-yl)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 KVGRLKUPNUKKGB-PDXGBUDPSA-N. The full InChI is InChI=1S/C22H22N8O.C17H12ClN7.C11H10N4.C6H3Cl2N3.C5H11NO/c31-13-17-3-1-9-29(17)22-26-21(19-4-2-10-30(19)27-22)25-20-12-28(14-24-20)16-6-5-15-7-8-23-18(15)11-16;18-17-22-16(14-2-1-7-25(14)23-17)21-15-9-24(10-20-15)12-4-3-11-5-6-19-13(11)8-12;12-11-6-15(7-14-11)9-2-1-8-3-4-13-10(8)5-9;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h2,4-8,10-12,14,17,23,31H,1,3,9,13H2,(H,25,26,27);1-10,19H,(H,21,22,23);1-7,13H,12H2;1-3H;5-7H,1-4H2/t17-;;;;5-/m0...0/s1.

What are the key properties of 2-chloro-N-[1-(1H-indol-6-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-indol-6-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-indol-6-yl)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-(1H-indol-6-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-indol-6-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-indol-6-yl)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 1251.65 g/mol, XLogP of 10.60, 10 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-(1H-indol-6-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-indol-6-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-indol-6-yl)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 167609413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).