lithium;tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate;ethyl 8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylate;2-methylpropan-2-ol;8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylic acid;8-piperazin-1-yl-5-thiophen-2-ylimidazo[1,2-a]pyrazin-2-amine;hydroxide

C84H109LiN22O14S4 — CID 158442835

About lithium;tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate;ethyl 8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylate;2-methylpropan-2-ol;8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylic acid;8-piperazin-1-yl-5-thiophen-2-ylimidazo[1,2-a]pyrazin-2-amine;hydroxide

lithium;tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate;ethyl 8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylate;2-methylpropan-2-ol;8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylic acid;8-piperazin-1-yl-5-thiophen-2-ylimidazo[1,2-a]pyrazin-2-amine;hydroxide (PubChem CID 158442835) has the molecular formula C84H109LiN22O14S4 and a molecular weight of 1786.14 g/mol. Its IUPAC name is lithium;tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate;ethyl 8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylate;2-methylpropan-2-ol;8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylic acid;8-piperazin-1-yl-5-thiophen-2-ylimidazo[1,2-a]pyrazin-2-amine;hydroxide.

Molecular Properties

• Compound Name: lithium;tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate;ethyl 8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylate;2-methylpropan-2-ol;8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylic acid;8-piperazin-1-yl-5-thiophen-2-ylimidazo[1,2-a]pyrazin-2-amine;hydroxide
• PubChem CID: 158442835
• Molecular Formula: C84H109LiN22O14S4
• Molecular Weight: 1786.14 g/mol
• Exact Mass: 1784.75
• IUPAC Name: lithium;tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate;ethyl 8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylate;2-methylpropan-2-ol;8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylic acid;8-piperazin-1-yl-5-thiophen-2-ylimidazo[1,2-a]pyrazin-2-amine;hydroxide
• SMILES: CC(C)(C)O.CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccs3)n3cc(C(=O)O)nc23)CC1.CC(C)(C)OC(=O)Nc1cn2c(-c3cccs3)cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2n1.CCOC(=O)c1cn2c(-c3cccs3)cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2n1.Nc1cn2c(-c3cccs3)cnc(N3CCNCC3)c2n1.[Li+].[OH-]
• InChI: InChI=1S/C24H32N6O4S.C22H27N5O4S.C20H23N5O4S.C14H16N6S.C4H10O.Li.H2O/c1-23(2,3)33-21(31)27-18-15-30-16(17-8-7-13-35-17)14-25-19(20(30)26-18)28-9-11-29(12-10-28)22(32)34-24(4,5)6;1-5-30-20(28)15-14-27-16(17-7-6-12-32-17)13-23-18(19(27)24-15)25-8-10-26(11-9-25)21(29)31-22(2,3)4;1-20(2,3)29-19(28)24-8-6-23(7-9-24)16-17-22-13(18(26)27)12-25(17)14(11-21-16)15-5-4-10-30-15;15-12-9-20-10(11-2-1-7-21-11)8-17-13(14(20)18-12)19-5-3-16-4-6-19;1-4(2,3)5;;/h7-8,13-15H,9-12H2,1-6H3,(H,27,31);6-7,12-14H,5,8-11H2,1-4H3;4-5,10-12H,6-9H2,1-3H3,(H,26,27);1-2,7-9,16H,3-6,15H2;5H,1-3H3;;1H2/q;;;;;+1;/p-1
• InChIKey: HDAHIQYDIVSWPL-UHFFFAOYSA-M
• XLogP: 10.82
• TPSA: 412.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1786.14
LogP ≤ 5	10.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate;ethyl 8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylate;2-methylpropan-2-ol;8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylic acid;8-piperazin-1-yl-5-thiophen-2-ylimidazo[1,2-a]pyrazin-2-amine;hydroxide?

The IUPAC name of lithium;tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate;ethyl 8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylate;2-methylpropan-2-ol;8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylic acid;8-piperazin-1-yl-5-thiophen-2-ylimidazo[1,2-a]pyrazin-2-amine;hydroxide (CID 158442835) is lithium;tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate;ethyl 8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylate;2-methylpropan-2-ol;8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylic acid;8-piperazin-1-yl-5-thiophen-2-ylimidazo[1,2-a]pyrazin-2-amine;hydroxide.

What is the SMILES notation for lithium;tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate;ethyl 8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylate;2-methylpropan-2-ol;8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylic acid;8-piperazin-1-yl-5-thiophen-2-ylimidazo[1,2-a]pyrazin-2-amine;hydroxide?

The canonical SMILES for lithium;tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate;ethyl 8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylate;2-methylpropan-2-ol;8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylic acid;8-piperazin-1-yl-5-thiophen-2-ylimidazo[1,2-a]pyrazin-2-amine;hydroxide is CC(C)(C)O.CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccs3)n3cc(C(=O)O)nc23)CC1.CC(C)(C)OC(=O)Nc1cn2c(-c3cccs3)cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2n1.CCOC(=O)c1cn2c(-c3cccs3)cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2n1.Nc1cn2c(-c3cccs3)cnc(N3CCNCC3)c2n1.[Li+].[OH-].

What is the InChIKey of lithium;tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate;ethyl 8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylate;2-methylpropan-2-ol;8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylic acid;8-piperazin-1-yl-5-thiophen-2-ylimidazo[1,2-a]pyrazin-2-amine;hydroxide?

The InChIKey is HDAHIQYDIVSWPL-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H32N6O4S.C22H27N5O4S.C20H23N5O4S.C14H16N6S.C4H10O.Li.H2O/c1-23(2,3)33-21(31)27-18-15-30-16(17-8-7-13-35-17)14-25-19(20(30)26-18)28-9-11-29(12-10-28)22(32)34-24(4,5)6;1-5-30-20(28)15-14-27-16(17-7-6-12-32-17)13-23-18(19(27)24-15)25-8-10-26(11-9-25)21(29)31-22(2,3)4;1-20(2,3)29-19(28)24-8-6-23(7-9-24)16-17-22-13(18(26)27)12-25(17)14(11-21-16)15-5-4-10-30-15;15-12-9-20-10(11-2-1-7-21-11)8-17-13(14(20)18-12)19-5-3-16-4-6-19;1-4(2,3)5;;/h7-8,13-15H,9-12H2,1-6H3,(H,27,31);6-7,12-14H,5,8-11H2,1-4H3;4-5,10-12H,6-9H2,1-3H3,(H,26,27);1-2,7-9,16H,3-6,15H2;5H,1-3H3;;1H2/q;;;;;+1;/p-1.

What are the key properties of lithium;tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate;ethyl 8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylate;2-methylpropan-2-ol;8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylic acid;8-piperazin-1-yl-5-thiophen-2-ylimidazo[1,2-a]pyrazin-2-amine;hydroxide?

lithium;tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate;ethyl 8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylate;2-methylpropan-2-ol;8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylic acid;8-piperazin-1-yl-5-thiophen-2-ylimidazo[1,2-a]pyrazin-2-amine;hydroxide has a molecular weight of 1786.14 g/mol, XLogP of 10.82, 12 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate;ethyl 8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylate;2-methylpropan-2-ol;8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-thiophen-2-ylimidazo[1,2-a]pyrazine-2-carboxylic acid;8-piperazin-1-yl-5-thiophen-2-ylimidazo[1,2-a]pyrazin-2-amine;hydroxide is sourced from PubChem (CID 158442835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).