dilithium;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoic acid;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;3-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;methyl 3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoate;[(2S)-pyrrolidin-2-yl]methanol;dihydroxide

C83H87Cl3Li2N28O14 — CID 167588715

About dilithium;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoic acid;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;3-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;methyl 3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoate;[(2S)-pyrrolidin-2-yl]methanol;dihydroxide

dilithium;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoic acid;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;3-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;methyl 3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoate;[(2S)-pyrrolidin-2-yl]methanol;dihydroxide (PubChem CID 167588715) has the molecular formula C83H87Cl3Li2N28O14 and a molecular weight of 1821.03 g/mol. Its IUPAC name is dilithium;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoic acid;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;3-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;methyl 3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoate;[(2S)-pyrrolidin-2-yl]methanol;dihydroxide.

Molecular Properties

• Compound Name: dilithium;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoic acid;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;3-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;methyl 3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoate;[(2S)-pyrrolidin-2-yl]methanol;dihydroxide
• PubChem CID: 167588715
• Molecular Formula: C83H87Cl3Li2N28O14
• Molecular Weight: 1821.03 g/mol
• Exact Mass: 1818.63
• IUPAC Name: dilithium;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoic acid;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;3-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;methyl 3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoate;[(2S)-pyrrolidin-2-yl]methanol;dihydroxide
• SMILES: COC(=O)c1cc(OC)cc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1.COc1cc(C(=O)N(C)C)cc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1.COc1cc(C(=O)N(C)C)cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nn4cccc34)c2)c1.COc1cc(C(=O)O)cc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1.OC[C@@H]1CCCN1.[Li+].[Li+].[OH-].[OH-]
• InChI: InChI=1S/C24H28N8O3.C19H18ClN7O2.C18H15ClN6O3.C17H13ClN6O3.C5H11NO.2Li.2H2O/c1-29(2)23(34)16-10-18(12-19(11-16)35-3)30-13-21(25-15-30)26-22-20-7-5-9-32(20)28-24(27-22)31-8-4-6-17(31)14-33;1-25(2)18(28)12-7-13(9-14(8-12)29-3)26-10-16(21-11-26)22-17-15-5-4-6-27(15)24-19(20)23-17;1-27-13-7-11(17(26)28-2)6-12(8-13)24-9-15(20-10-24)21-16-14-4-3-5-25(14)23-18(19)22-16;1-27-12-6-10(16(25)26)5-11(7-12)23-8-14(19-9-23)20-15-13-3-2-4-24(13)22-17(18)21-15;7-4-5-2-1-3-6-5;;;;/h5,7,9-13,15,17,33H,4,6,8,14H2,1-3H3,(H,26,27,28);4-11H,1-3H3,(H,22,23,24);3-10H,1-2H3,(H,21,22,23);2-9H,1H3,(H,25,26)(H,20,21,22);5-7H,1-4H2;;;2*1H2/q;;;;;2*+1;;/p-2/t17-;;;;5-;;;;/m0...0..../s1
• InChIKey: IDJYEEAPEUSCEU-IPINXNEZSA-L
• XLogP: 4.86
• TPSA: 497.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 23
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1821.03
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of dilithium;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoic acid;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;3-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;methyl 3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoate;[(2S)-pyrrolidin-2-yl]methanol;dihydroxide?

The IUPAC name of dilithium;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoic acid;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;3-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;methyl 3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoate;[(2S)-pyrrolidin-2-yl]methanol;dihydroxide (CID 167588715) is dilithium;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoic acid;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;3-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;methyl 3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoate;[(2S)-pyrrolidin-2-yl]methanol;dihydroxide.

What is the SMILES notation for dilithium;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoic acid;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;3-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;methyl 3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoate;[(2S)-pyrrolidin-2-yl]methanol;dihydroxide?

The canonical SMILES for dilithium;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoic acid;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;3-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;methyl 3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoate;[(2S)-pyrrolidin-2-yl]methanol;dihydroxide is COC(=O)c1cc(OC)cc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1.COc1cc(C(=O)N(C)C)cc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1.COc1cc(C(=O)N(C)C)cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nn4cccc34)c2)c1.COc1cc(C(=O)O)cc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1.OC[C@@H]1CCCN1.[Li+].[Li+].[OH-].[OH-].

What is the InChIKey of dilithium;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoic acid;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;3-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;methyl 3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoate;[(2S)-pyrrolidin-2-yl]methanol;dihydroxide?

The InChIKey is IDJYEEAPEUSCEU-IPINXNEZSA-L. The full InChI is InChI=1S/C24H28N8O3.C19H18ClN7O2.C18H15ClN6O3.C17H13ClN6O3.C5H11NO.2Li.2H2O/c1-29(2)23(34)16-10-18(12-19(11-16)35-3)30-13-21(25-15-30)26-22-20-7-5-9-32(20)28-24(27-22)31-8-4-6-17(31)14-33;1-25(2)18(28)12-7-13(9-14(8-12)29-3)26-10-16(21-11-26)22-17-15-5-4-6-27(15)24-19(20)23-17;1-27-13-7-11(17(26)28-2)6-12(8-13)24-9-15(20-10-24)21-16-14-4-3-5-25(14)23-18(19)22-16;1-27-12-6-10(16(25)26)5-11(7-12)23-8-14(19-9-23)20-15-13-3-2-4-24(13)22-17(18)21-15;7-4-5-2-1-3-6-5;;;;/h5,7,9-13,15,17,33H,4,6,8,14H2,1-3H3,(H,26,27,28);4-11H,1-3H3,(H,22,23,24);3-10H,1-2H3,(H,21,22,23);2-9H,1H3,(H,25,26)(H,20,21,22);5-7H,1-4H2;;;2*1H2/q;;;;;2*+1;;/p-2/t17-;;;;5-;;;;/m0...0..../s1.

What are the key properties of dilithium;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoic acid;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;3-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;methyl 3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoate;[(2S)-pyrrolidin-2-yl]methanol;dihydroxide?

dilithium;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoic acid;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;3-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;methyl 3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoate;[(2S)-pyrrolidin-2-yl]methanol;dihydroxide has a molecular weight of 1821.03 g/mol, XLogP of 4.86, 23 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for dilithium;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoic acid;3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;3-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]-5-methoxy-N,N-dimethylbenzamide;methyl 3-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]-5-methoxybenzoate;[(2S)-pyrrolidin-2-yl]methanol;dihydroxide is sourced from PubChem (CID 167588715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).