lithium;acetyl chloride;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoic acid;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1R)-1-phenylpropyl]benzamide;methane;methyl 4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate;hydroxide

C84H97ClF4LiN17O12 — CID 159984968

About lithium;acetyl chloride;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoic acid;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1R)-1-phenylpropyl]benzamide;methane;methyl 4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate;hydroxide

lithium;acetyl chloride;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoic acid;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1R)-1-phenylpropyl]benzamide;methane;methyl 4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate;hydroxide (PubChem CID 159984968) has the molecular formula C84H97ClF4LiN17O12 and a molecular weight of 1655.19 g/mol. Its IUPAC name is lithium;acetyl chloride;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoic acid;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1R)-1-phenylpropyl]benzamide;methane;methyl 4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate;hydroxide.

Molecular Properties

• Compound Name: lithium;acetyl chloride;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoic acid;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1R)-1-phenylpropyl]benzamide;methane;methyl 4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate;hydroxide
• PubChem CID: 159984968
• Molecular Formula: C84H97ClF4LiN17O12
• Molecular Weight: 1655.19 g/mol
• Exact Mass: 1653.73
• IUPAC Name: lithium;acetyl chloride;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoic acid;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1R)-1-phenylpropyl]benzamide;methane;methyl 4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate;hydroxide
• SMILES: C.CC(=O)Cl.CC(=O)N1CCCC(c2cnc(N)c(-c3ccc(C(=O)O)c(F)c3)n2)C1.CC[C@@H](NC(=O)c1ccc(-c2nc(C3CCCN(C(C)=O)C3)cnc2N)cc1F)c1ccccc1.COC(=O)c1ccc(-c2nc(C3CCCN(C(C)=O)C3)cnc2N)cc1F.COC(=O)c1ccc(-c2nc(C3CCCNC3)cnc2N)cc1F.[Li+].[OH-]
• InChI: InChI=1S/C27H30FN5O2.C19H21FN4O3.C18H19FN4O3.C17H19FN4O2.C2H3ClO.CH4.Li.H2O/c1-3-23(18-8-5-4-6-9-18)32-27(35)21-12-11-19(14-22(21)28)25-26(29)30-15-24(31-25)20-10-7-13-33(16-20)17(2)34;1-11(25)24-7-3-4-13(10-24)16-9-22-18(21)17(23-16)12-5-6-14(15(20)8-12)19(26)27-2;1-10(24)23-6-2-3-12(9-23)15-8-21-17(20)16(22-15)11-4-5-13(18(25)26)14(19)7-11;1-24-17(23)12-5-4-10(7-13(12)18)15-16(19)21-9-14(22-15)11-3-2-6-20-8-11;1-2(3)4;;;/h4-6,8-9,11-12,14-15,20,23H,3,7,10,13,16H2,1-2H3,(H2,29,30)(H,32,35);5-6,8-9,13H,3-4,7,10H2,1-2H3,(H2,21,22);4-5,7-8,12H,2-3,6,9H2,1H3,(H2,20,21)(H,25,26);4-5,7,9,11,20H,2-3,6,8H2,1H3,(H2,19,21);1H3;1H4;;1H2/q;;;;;;+1;/p-1/t20?,23-;;;;;;;/m1......./s1
• InChIKey: OGFIXRLRZTWOHZ-MJADVJSISA-M
• XLogP: 9.49
• TPSA: 446.23 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1655.19
LogP ≤ 5	9.49
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;acetyl chloride;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoic acid;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1R)-1-phenylpropyl]benzamide;methane;methyl 4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate;hydroxide?

The IUPAC name of lithium;acetyl chloride;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoic acid;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1R)-1-phenylpropyl]benzamide;methane;methyl 4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate;hydroxide (CID 159984968) is lithium;acetyl chloride;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoic acid;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1R)-1-phenylpropyl]benzamide;methane;methyl 4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate;hydroxide.

What is the SMILES notation for lithium;acetyl chloride;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoic acid;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1R)-1-phenylpropyl]benzamide;methane;methyl 4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate;hydroxide?

The canonical SMILES for lithium;acetyl chloride;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoic acid;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1R)-1-phenylpropyl]benzamide;methane;methyl 4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate;hydroxide is C.CC(=O)Cl.CC(=O)N1CCCC(c2cnc(N)c(-c3ccc(C(=O)O)c(F)c3)n2)C1.CC[C@@H](NC(=O)c1ccc(-c2nc(C3CCCN(C(C)=O)C3)cnc2N)cc1F)c1ccccc1.COC(=O)c1ccc(-c2nc(C3CCCN(C(C)=O)C3)cnc2N)cc1F.COC(=O)c1ccc(-c2nc(C3CCCNC3)cnc2N)cc1F.[Li+].[OH-].

What is the InChIKey of lithium;acetyl chloride;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoic acid;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1R)-1-phenylpropyl]benzamide;methane;methyl 4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate;hydroxide?

The InChIKey is OGFIXRLRZTWOHZ-MJADVJSISA-M. The full InChI is InChI=1S/C27H30FN5O2.C19H21FN4O3.C18H19FN4O3.C17H19FN4O2.C2H3ClO.CH4.Li.H2O/c1-3-23(18-8-5-4-6-9-18)32-27(35)21-12-11-19(14-22(21)28)25-26(29)30-15-24(31-25)20-10-7-13-33(16-20)17(2)34;1-11(25)24-7-3-4-13(10-24)16-9-22-18(21)17(23-16)12-5-6-14(15(20)8-12)19(26)27-2;1-10(24)23-6-2-3-12(9-23)15-8-21-17(20)16(22-15)11-4-5-13(18(25)26)14(19)7-11;1-24-17(23)12-5-4-10(7-13(12)18)15-16(19)21-9-14(22-15)11-3-2-6-20-8-11;1-2(3)4;;;/h4-6,8-9,11-12,14-15,20,23H,3,7,10,13,16H2,1-2H3,(H2,29,30)(H,32,35);5-6,8-9,13H,3-4,7,10H2,1-2H3,(H2,21,22);4-5,7-8,12H,2-3,6,9H2,1H3,(H2,20,21)(H,25,26);4-5,7,9,11,20H,2-3,6,8H2,1H3,(H2,19,21);1H3;1H4;;1H2/q;;;;;;+1;/p-1/t20?,23-;;;;;;;/m1......./s1.

What are the key properties of lithium;acetyl chloride;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoic acid;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1R)-1-phenylpropyl]benzamide;methane;methyl 4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate;hydroxide?

lithium;acetyl chloride;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoic acid;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1R)-1-phenylpropyl]benzamide;methane;methyl 4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate;hydroxide has a molecular weight of 1655.19 g/mol, XLogP of 9.49, 15 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;acetyl chloride;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoic acid;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1R)-1-phenylpropyl]benzamide;methane;methyl 4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate;hydroxide is sourced from PubChem (CID 159984968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).