lithium;2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetic acid;ethyl 2-amino-2-(4-aminothiophen-3-yl)acetate;ethyl 2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;ethyl 2-[4-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;2-[2-fluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carboxylic acid;hydroxide

C92H89F4LiN20O16S4 — CID 161015820

About lithium;2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetic acid;ethyl 2-amino-2-(4-aminothiophen-3-yl)acetate;ethyl 2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;ethyl 2-[4-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;2-[2-fluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carboxylic acid;hydroxide

lithium;2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetic acid;ethyl 2-amino-2-(4-aminothiophen-3-yl)acetate;ethyl 2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;ethyl 2-[4-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;2-[2-fluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carboxylic acid;hydroxide (PubChem CID 161015820) has the molecular formula C92H89F4LiN20O16S4 and a molecular weight of 1942.05 g/mol. Its IUPAC name is lithium;2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetic acid;ethyl 2-amino-2-(4-aminothiophen-3-yl)acetate;ethyl 2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;ethyl 2-[4-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;2-[2-fluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: lithium;2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetic acid;ethyl 2-amino-2-(4-aminothiophen-3-yl)acetate;ethyl 2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;ethyl 2-[4-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;2-[2-fluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carboxylic acid;hydroxide
• PubChem CID: 161015820
• Molecular Formula: C92H89F4LiN20O16S4
• Molecular Weight: 1942.05 g/mol
• Exact Mass: 1940.57
• IUPAC Name: lithium;2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetic acid;ethyl 2-amino-2-(4-aminothiophen-3-yl)acetate;ethyl 2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;ethyl 2-[4-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;2-[2-fluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carboxylic acid;hydroxide
• SMILES: CC(C)(C)OC(=O)NCc1cccc(-c2nc(C(=O)O)c3cccn3n2)c1F.CCOC(=O)C(N)c1cscc1N.CCOC(=O)Cc1cscc1NC(=O)c1nc(-c2cccc(CC)c2F)nn2cccc12.CCOC(=O)Cc1cscc1NC(=O)c1nc(-c2cccc(CN)c2F)nn2cccc12.NCc1cccc(-c2nc(C(=O)Nc3cscc3CC(=O)O)c3cccn3n2)c1F.[Li+].[OH-]
• InChI: InChI=1S/C23H21FN4O3S.C22H20FN5O3S.C20H16FN5O3S.C19H19FN4O4.C8H12N2O2S.Li.H2O/c1-3-14-7-5-8-16(20(14)24)22-26-21(18-9-6-10-28(18)27-22)23(30)25-17-13-32-12-15(17)11-19(29)31-4-2;1-2-31-18(29)9-14-11-32-12-16(14)25-22(30)20-17-7-4-8-28(17)27-21(26-20)15-6-3-5-13(10-24)19(15)23;21-17-11(8-22)3-1-4-13(17)19-24-18(15-5-2-6-26(15)25-19)20(29)23-14-10-30-9-12(14)7-16(27)28;1-19(2,3)28-18(27)21-10-11-6-4-7-12(14(11)20)16-22-15(17(25)26)13-8-5-9-24(13)23-16;1-2-12-8(11)7(10)5-3-13-4-6(5)9;;/h5-10,12-13H,3-4,11H2,1-2H3,(H,25,30);3-8,11-12H,2,9-10,24H2,1H3,(H,25,30);1-6,9-10H,7-8,22H2,(H,23,29)(H,27,28);4-9H,10H2,1-3H3,(H,21,27)(H,25,26);3-4,7H,2,9-10H2,1H3;;1H2/q;;;;;+1;/p-1
• InChIKey: TXSCBOMQBAODKD-UHFFFAOYSA-M
• XLogP: 11.84
• TPSA: 533.97 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1942.05
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetic acid;ethyl 2-amino-2-(4-aminothiophen-3-yl)acetate;ethyl 2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;ethyl 2-[4-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;2-[2-fluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carboxylic acid;hydroxide?

The IUPAC name of lithium;2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetic acid;ethyl 2-amino-2-(4-aminothiophen-3-yl)acetate;ethyl 2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;ethyl 2-[4-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;2-[2-fluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carboxylic acid;hydroxide (CID 161015820) is lithium;2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetic acid;ethyl 2-amino-2-(4-aminothiophen-3-yl)acetate;ethyl 2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;ethyl 2-[4-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;2-[2-fluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carboxylic acid;hydroxide.

What is the SMILES notation for lithium;2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetic acid;ethyl 2-amino-2-(4-aminothiophen-3-yl)acetate;ethyl 2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;ethyl 2-[4-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;2-[2-fluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carboxylic acid;hydroxide?

The canonical SMILES for lithium;2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetic acid;ethyl 2-amino-2-(4-aminothiophen-3-yl)acetate;ethyl 2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;ethyl 2-[4-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;2-[2-fluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carboxylic acid;hydroxide is CC(C)(C)OC(=O)NCc1cccc(-c2nc(C(=O)O)c3cccn3n2)c1F.CCOC(=O)C(N)c1cscc1N.CCOC(=O)Cc1cscc1NC(=O)c1nc(-c2cccc(CC)c2F)nn2cccc12.CCOC(=O)Cc1cscc1NC(=O)c1nc(-c2cccc(CN)c2F)nn2cccc12.NCc1cccc(-c2nc(C(=O)Nc3cscc3CC(=O)O)c3cccn3n2)c1F.[Li+].[OH-].

What is the InChIKey of lithium;2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetic acid;ethyl 2-amino-2-(4-aminothiophen-3-yl)acetate;ethyl 2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;ethyl 2-[4-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;2-[2-fluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carboxylic acid;hydroxide?

The InChIKey is TXSCBOMQBAODKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H21FN4O3S.C22H20FN5O3S.C20H16FN5O3S.C19H19FN4O4.C8H12N2O2S.Li.H2O/c1-3-14-7-5-8-16(20(14)24)22-26-21(18-9-6-10-28(18)27-22)23(30)25-17-13-32-12-15(17)11-19(29)31-4-2;1-2-31-18(29)9-14-11-32-12-16(14)25-22(30)20-17-7-4-8-28(17)27-21(26-20)15-6-3-5-13(10-24)19(15)23;21-17-11(8-22)3-1-4-13(17)19-24-18(15-5-2-6-26(15)25-19)20(29)23-14-10-30-9-12(14)7-16(27)28;1-19(2,3)28-18(27)21-10-11-6-4-7-12(14(11)20)16-22-15(17(25)26)13-8-5-9-24(13)23-16;1-2-12-8(11)7(10)5-3-13-4-6(5)9;;/h5-10,12-13H,3-4,11H2,1-2H3,(H,25,30);3-8,11-12H,2,9-10,24H2,1H3,(H,25,30);1-6,9-10H,7-8,22H2,(H,23,29)(H,27,28);4-9H,10H2,1-3H3,(H,21,27)(H,25,26);3-4,7H,2,9-10H2,1H3;;1H2/q;;;;;+1;/p-1.

What are the key properties of lithium;2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetic acid;ethyl 2-amino-2-(4-aminothiophen-3-yl)acetate;ethyl 2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;ethyl 2-[4-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;2-[2-fluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carboxylic acid;hydroxide?

lithium;2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetic acid;ethyl 2-amino-2-(4-aminothiophen-3-yl)acetate;ethyl 2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;ethyl 2-[4-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;2-[2-fluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carboxylic acid;hydroxide has a molecular weight of 1942.05 g/mol, XLogP of 11.84, 27 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetic acid;ethyl 2-amino-2-(4-aminothiophen-3-yl)acetate;ethyl 2-[4-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;ethyl 2-[4-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]thiophen-3-yl]acetate;2-[2-fluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carboxylic acid;hydroxide is sourced from PubChem (CID 161015820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).