lithium;7-O-tert-butyl 1-O-ethyl 3-oxo-2-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-O-tert-butyl 1-O-ethyl 3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-[2-(3-chloro-4-fluorophenyl)acetyl]-3-oxo-2-phenyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethyl 3-oxo-2H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazine-1-carboxylate;phenylboronic acid;hydroxide

C82H100BClFLiN16O22 — CID 158935568

About lithium;7-O-tert-butyl 1-O-ethyl 3-oxo-2-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-O-tert-butyl 1-O-ethyl 3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-[2-(3-chloro-4-fluorophenyl)acetyl]-3-oxo-2-phenyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethyl 3-oxo-2H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazine-1-carboxylate;phenylboronic acid;hydroxide

lithium;7-O-tert-butyl 1-O-ethyl 3-oxo-2-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-O-tert-butyl 1-O-ethyl 3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-[2-(3-chloro-4-fluorophenyl)acetyl]-3-oxo-2-phenyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethyl 3-oxo-2H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazine-1-carboxylate;phenylboronic acid;hydroxide (PubChem CID 158935568) has the molecular formula C82H100BClFLiN16O22 and a molecular weight of 1734.00 g/mol. Its IUPAC name is lithium;7-O-tert-butyl 1-O-ethyl 3-oxo-2-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-O-tert-butyl 1-O-ethyl 3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-[2-(3-chloro-4-fluorophenyl)acetyl]-3-oxo-2-phenyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethyl 3-oxo-2H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazine-1-carboxylate;phenylboronic acid;hydroxide.

Molecular Properties

• Compound Name: lithium;7-O-tert-butyl 1-O-ethyl 3-oxo-2-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-O-tert-butyl 1-O-ethyl 3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-[2-(3-chloro-4-fluorophenyl)acetyl]-3-oxo-2-phenyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethyl 3-oxo-2H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazine-1-carboxylate;phenylboronic acid;hydroxide
• PubChem CID: 158935568
• Molecular Formula: C82H100BClFLiN16O22
• Molecular Weight: 1734.00 g/mol
• Exact Mass: 1732.71
• IUPAC Name: lithium;7-O-tert-butyl 1-O-ethyl 3-oxo-2-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-O-tert-butyl 1-O-ethyl 3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-[2-(3-chloro-4-fluorophenyl)acetyl]-3-oxo-2-phenyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethyl 3-oxo-2H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazine-1-carboxylate;phenylboronic acid;hydroxide
• SMILES: CC(C)NC(=O)c1c2n(c(=O)n1-c1ccccc1)CCN(C(=O)Cc1ccc(F)c(Cl)c1)C2.CCOC(=O)c1[nH]c(=O)n2c1CN(C(=O)OC(C)(C)C)CC2.CCOC(=O)c1[nH]c(=O)n2c1CNCC2.CCOC(=O)c1[nH]c(=O)n2ccncc12.CCOC(=O)c1c2n(c(=O)n1-c1ccccc1)CCN(C(=O)OC(C)(C)C)C2.OB(O)c1ccccc1.[Li+].[OH-]
• InChI: InChI=1S/C24H24ClFN4O3.C20H25N3O5.C14H21N3O5.C9H13N3O3.C9H9N3O3.C6H7BO2.Li.H2O/c1-15(2)27-23(32)22-20-14-28(21(31)13-16-8-9-19(26)18(25)12-16)10-11-29(20)24(33)30(22)17-6-4-3-5-7-17;1-5-27-17(24)16-15-13-21(19(26)28-20(2,3)4)11-12-22(15)18(25)23(16)14-9-7-6-8-10-14;1-5-21-11(18)10-9-8-16(13(20)22-14(2,3)4)6-7-17(9)12(19)15-10;2*1-2-15-8(13)7-6-5-10-3-4-12(6)9(14)11-7;8-7(9)6-4-2-1-3-5-6;;/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,27,32);6-10H,5,11-13H2,1-4H3;5-8H2,1-4H3,(H,15,19);10H,2-5H2,1H3,(H,11,14);3-5H,2H2,1H3,(H,11,14);1-5,8-9H;;1H2/q;;;;;;+1;/p-1
• InChIKey: JJPJEWRKKVCPDL-UHFFFAOYSA-M
• XLogP: 2.67
• TPSA: 475.78 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1734.00
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;7-O-tert-butyl 1-O-ethyl 3-oxo-2-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-O-tert-butyl 1-O-ethyl 3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-[2-(3-chloro-4-fluorophenyl)acetyl]-3-oxo-2-phenyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethyl 3-oxo-2H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazine-1-carboxylate;phenylboronic acid;hydroxide?

The IUPAC name of lithium;7-O-tert-butyl 1-O-ethyl 3-oxo-2-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-O-tert-butyl 1-O-ethyl 3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-[2-(3-chloro-4-fluorophenyl)acetyl]-3-oxo-2-phenyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethyl 3-oxo-2H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazine-1-carboxylate;phenylboronic acid;hydroxide (CID 158935568) is lithium;7-O-tert-butyl 1-O-ethyl 3-oxo-2-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-O-tert-butyl 1-O-ethyl 3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-[2-(3-chloro-4-fluorophenyl)acetyl]-3-oxo-2-phenyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethyl 3-oxo-2H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazine-1-carboxylate;phenylboronic acid;hydroxide.

What is the SMILES notation for lithium;7-O-tert-butyl 1-O-ethyl 3-oxo-2-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-O-tert-butyl 1-O-ethyl 3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-[2-(3-chloro-4-fluorophenyl)acetyl]-3-oxo-2-phenyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethyl 3-oxo-2H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazine-1-carboxylate;phenylboronic acid;hydroxide?

The canonical SMILES for lithium;7-O-tert-butyl 1-O-ethyl 3-oxo-2-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-O-tert-butyl 1-O-ethyl 3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-[2-(3-chloro-4-fluorophenyl)acetyl]-3-oxo-2-phenyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethyl 3-oxo-2H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazine-1-carboxylate;phenylboronic acid;hydroxide is CC(C)NC(=O)c1c2n(c(=O)n1-c1ccccc1)CCN(C(=O)Cc1ccc(F)c(Cl)c1)C2.CCOC(=O)c1[nH]c(=O)n2c1CN(C(=O)OC(C)(C)C)CC2.CCOC(=O)c1[nH]c(=O)n2c1CNCC2.CCOC(=O)c1[nH]c(=O)n2ccncc12.CCOC(=O)c1c2n(c(=O)n1-c1ccccc1)CCN(C(=O)OC(C)(C)C)C2.OB(O)c1ccccc1.[Li+].[OH-].

What is the InChIKey of lithium;7-O-tert-butyl 1-O-ethyl 3-oxo-2-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-O-tert-butyl 1-O-ethyl 3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-[2-(3-chloro-4-fluorophenyl)acetyl]-3-oxo-2-phenyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethyl 3-oxo-2H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazine-1-carboxylate;phenylboronic acid;hydroxide?

The InChIKey is JJPJEWRKKVCPDL-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H24ClFN4O3.C20H25N3O5.C14H21N3O5.C9H13N3O3.C9H9N3O3.C6H7BO2.Li.H2O/c1-15(2)27-23(32)22-20-14-28(21(31)13-16-8-9-19(26)18(25)12-16)10-11-29(20)24(33)30(22)17-6-4-3-5-7-17;1-5-27-17(24)16-15-13-21(19(26)28-20(2,3)4)11-12-22(15)18(25)23(16)14-9-7-6-8-10-14;1-5-21-11(18)10-9-8-16(13(20)22-14(2,3)4)6-7-17(9)12(19)15-10;2*1-2-15-8(13)7-6-5-10-3-4-12(6)9(14)11-7;8-7(9)6-4-2-1-3-5-6;;/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,27,32);6-10H,5,11-13H2,1-4H3;5-8H2,1-4H3,(H,15,19);10H,2-5H2,1H3,(H,11,14);3-5H,2H2,1H3,(H,11,14);1-5,8-9H;;1H2/q;;;;;;+1;/p-1.

What are the key properties of lithium;7-O-tert-butyl 1-O-ethyl 3-oxo-2-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-O-tert-butyl 1-O-ethyl 3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-[2-(3-chloro-4-fluorophenyl)acetyl]-3-oxo-2-phenyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethyl 3-oxo-2H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazine-1-carboxylate;phenylboronic acid;hydroxide?

lithium;7-O-tert-butyl 1-O-ethyl 3-oxo-2-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-O-tert-butyl 1-O-ethyl 3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-[2-(3-chloro-4-fluorophenyl)acetyl]-3-oxo-2-phenyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethyl 3-oxo-2H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazine-1-carboxylate;phenylboronic acid;hydroxide has a molecular weight of 1734.00 g/mol, XLogP of 2.67, 15 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;7-O-tert-butyl 1-O-ethyl 3-oxo-2-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-O-tert-butyl 1-O-ethyl 3-oxo-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxylate;7-[2-(3-chloro-4-fluorophenyl)acetyl]-3-oxo-2-phenyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;ethyl 3-oxo-2H-imidazo[1,5-a]pyrazine-1-carboxylate;ethyl 3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazine-1-carboxylate;phenylboronic acid;hydroxide is sourced from PubChem (CID 158935568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).