lithium;2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;ethyl 2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetate;ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;ethyl 2-[5-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-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

C92H96F4LiN27O16 — CID 159783084

About lithium;2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;ethyl 2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetate;ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;ethyl 2-[5-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-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-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;ethyl 2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetate;ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;ethyl 2-[5-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-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 159783084) has the molecular formula C92H96F4LiN27O16 and a molecular weight of 1918.89 g/mol. Its IUPAC name is lithium;2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;ethyl 2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetate;ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;ethyl 2-[5-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-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-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;ethyl 2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetate;ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;ethyl 2-[5-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-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: 159783084
• Molecular Formula: C92H96F4LiN27O16
• Molecular Weight: 1918.89 g/mol
• Exact Mass: 1917.76
• IUPAC Name: lithium;2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;ethyl 2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetate;ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;ethyl 2-[5-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-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)Cn1nc(C)cc1N.CCOC(=O)Cn1nc(C)cc1NC(=O)c1nc(-c2cccc(CC)c2F)nn2cccc12.CCOC(=O)Cn1nc(C)cc1NC(=O)c1nc(-c2cccc(CN)c2F)nn2cccc12.Cc1cc(NC(=O)c2nc(-c3cccc(CN)c3F)nn3cccc23)n(CC(=O)O)n1.[Li+].[OH-]
• InChI: InChI=1S/C23H23FN6O3.C22H22FN7O3.C20H18FN7O3.C19H19FN4O4.C8H13N3O2.Li.H2O/c1-4-15-8-6-9-16(20(15)24)22-26-21(17-10-7-11-29(17)28-22)23(32)25-18-12-14(3)27-30(18)13-19(31)33-5-2;1-3-33-18(31)12-30-17(10-13(2)27-30)25-22(32)20-16-8-5-9-29(16)28-21(26-20)15-7-4-6-14(11-24)19(15)23;1-11-8-15(28(25-11)10-16(29)30)23-20(31)18-14-6-3-7-27(14)26-19(24-18)13-5-2-4-12(9-22)17(13)21;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;1-3-13-8(12)5-11-7(9)4-6(2)10-11;;/h6-12H,4-5,13H2,1-3H3,(H,25,32);4-10H,3,11-12,24H2,1-2H3,(H,25,32);2-8H,9-10,22H2,1H3,(H,23,31)(H,29,30);4-9H,10H2,1-3H3,(H,21,27)(H,25,26);4H,3,5,9H2,1-2H3;;1H2/q;;;;;+1;/p-1
• InChIKey: NHPNXSIZYALGDM-UHFFFAOYSA-M
• XLogP: 7.99
• TPSA: 579.23 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1918.89
LogP ≤ 5	7.99
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;ethyl 2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetate;ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;ethyl 2-[5-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-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-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;ethyl 2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetate;ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;ethyl 2-[5-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-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 159783084) is lithium;2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;ethyl 2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetate;ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;ethyl 2-[5-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-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-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;ethyl 2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetate;ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;ethyl 2-[5-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-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-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;ethyl 2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetate;ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;ethyl 2-[5-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-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)Cn1nc(C)cc1N.CCOC(=O)Cn1nc(C)cc1NC(=O)c1nc(-c2cccc(CC)c2F)nn2cccc12.CCOC(=O)Cn1nc(C)cc1NC(=O)c1nc(-c2cccc(CN)c2F)nn2cccc12.Cc1cc(NC(=O)c2nc(-c3cccc(CN)c3F)nn3cccc23)n(CC(=O)O)n1.[Li+].[OH-].

What is the InChIKey of lithium;2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;ethyl 2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetate;ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;ethyl 2-[5-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-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 NHPNXSIZYALGDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H23FN6O3.C22H22FN7O3.C20H18FN7O3.C19H19FN4O4.C8H13N3O2.Li.H2O/c1-4-15-8-6-9-16(20(15)24)22-26-21(17-10-7-11-29(17)28-22)23(32)25-18-12-14(3)27-30(18)13-19(31)33-5-2;1-3-33-18(31)12-30-17(10-13(2)27-30)25-22(32)20-16-8-5-9-29(16)28-21(26-20)15-7-4-6-14(11-24)19(15)23;1-11-8-15(28(25-11)10-16(29)30)23-20(31)18-14-6-3-7-27(14)26-19(24-18)13-5-2-4-12(9-22)17(13)21;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;1-3-13-8(12)5-11-7(9)4-6(2)10-11;;/h6-12H,4-5,13H2,1-3H3,(H,25,32);4-10H,3,11-12,24H2,1-2H3,(H,25,32);2-8H,9-10,22H2,1H3,(H,23,31)(H,29,30);4-9H,10H2,1-3H3,(H,21,27)(H,25,26);4H,3,5,9H2,1-2H3;;1H2/q;;;;;+1;/p-1.

What are the key properties of lithium;2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;ethyl 2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetate;ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;ethyl 2-[5-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-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-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;ethyl 2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetate;ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;ethyl 2-[5-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-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 1918.89 g/mol, XLogP of 7.99, 27 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetic acid;ethyl 2-[5-[[2-[3-(aminomethyl)-2-fluorophenyl]pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-yl]acetate;ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;ethyl 2-[5-[[2-(3-ethyl-2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazine-4-carbonyl]amino]-3-methylpyrazol-1-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 159783084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).