2-chloroacetaldehyde;bis((3R)-4-(6-chloroimidazo[1,2-a]pyrazin-8-yl)-3-methylmorpholine);6,8-dichloroimidazo[1,2-a]pyrazine;3,5-dichloropyrazin-2-amine;N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide

C86H93BCl7F6N21O9 — CID 159345514

About 2-chloroacetaldehyde;bis((3R)-4-(6-chloroimidazo[1,2-a]pyrazin-8-yl)-3-methylmorpholine);6,8-dichloroimidazo[1,2-a]pyrazine;3,5-dichloropyrazin-2-amine;N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide

2-chloroacetaldehyde;bis((3R)-4-(6-chloroimidazo[1,2-a]pyrazin-8-yl)-3-methylmorpholine);6,8-dichloroimidazo[1,2-a]pyrazine;3,5-dichloropyrazin-2-amine;N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 159345514) has the molecular formula C86H93BCl7F6N21O9 and a molecular weight of 1937.80 g/mol. Its IUPAC name is 2-chloroacetaldehyde;bis((3R)-4-(6-chloroimidazo[1,2-a]pyrazin-8-yl)-3-methylmorpholine);6,8-dichloroimidazo[1,2-a]pyrazine;3,5-dichloropyrazin-2-amine;N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 2-chloroacetaldehyde;bis((3R)-4-(6-chloroimidazo[1,2-a]pyrazin-8-yl)-3-methylmorpholine);6,8-dichloroimidazo[1,2-a]pyrazine;3,5-dichloropyrazin-2-amine;N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 159345514
• Molecular Formula: C86H93BCl7F6N21O9
• Molecular Weight: 1937.80 g/mol
• Exact Mass: 1933.53
• IUPAC Name: 2-chloroacetaldehyde;bis((3R)-4-(6-chloroimidazo[1,2-a]pyrazin-8-yl)-3-methylmorpholine);6,8-dichloroimidazo[1,2-a]pyrazine;3,5-dichloropyrazin-2-amine;N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide
• SMILES: C[C@@H]1COCCN1.C[C@@H]1COCCN1c1nc(Cl)cn2ccnc12.C[C@@H]1COCCN1c1nc(Cl)cn2ccnc12.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cn2ccnc2c(N2CCOC[C@H]2C)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cn2ccnc2c(Cl)n1.Nc1ncc(Cl)nc1Cl.O=CCCl
• InChI: InChI=1S/C26H24F3N5O2.C21H23BF3NO3.2C11H13ClN4O.C6H3Cl2N3.C5H11NO.C4H3Cl2N3.C2H3ClO/c1-16-6-7-20(31-25(35)18-4-3-5-19(12-18)26(27,28)29)13-21(16)22-14-33-9-8-30-23(33)24(32-22)34-10-11-36-15-17(34)2;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;2*1-8-7-17-5-4-16(8)11-10-13-2-3-15(10)6-9(12)14-11;7-4-3-11-2-1-9-6(11)5(8)10-4;1-5-4-7-3-2-6-5;5-2-1-8-4(7)3(6)9-2;3-1-2-4/h3-9,12-14,17H,10-11,15H2,1-2H3,(H,31,35);6-12H,1-5H3,(H,26,27);2*2-3,6,8H,4-5,7H2,1H3;1-3H;5-6H,2-4H2,1H3;1H,(H2,7,8);2H,1H2/t17-;;2*8-;;5-;;/m1.11.1../s1
• InChIKey: LGRDRWPJQAELIF-HWHVEYGLSA-N
• XLogP: 16.80
• TPSA: 324.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 10
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1937.80
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetaldehyde;bis((3R)-4-(6-chloroimidazo[1,2-a]pyrazin-8-yl)-3-methylmorpholine);6,8-dichloroimidazo[1,2-a]pyrazine;3,5-dichloropyrazin-2-amine;N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of 2-chloroacetaldehyde;bis((3R)-4-(6-chloroimidazo[1,2-a]pyrazin-8-yl)-3-methylmorpholine);6,8-dichloroimidazo[1,2-a]pyrazine;3,5-dichloropyrazin-2-amine;N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 159345514) is 2-chloroacetaldehyde;bis((3R)-4-(6-chloroimidazo[1,2-a]pyrazin-8-yl)-3-methylmorpholine);6,8-dichloroimidazo[1,2-a]pyrazine;3,5-dichloropyrazin-2-amine;N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for 2-chloroacetaldehyde;bis((3R)-4-(6-chloroimidazo[1,2-a]pyrazin-8-yl)-3-methylmorpholine);6,8-dichloroimidazo[1,2-a]pyrazine;3,5-dichloropyrazin-2-amine;N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for 2-chloroacetaldehyde;bis((3R)-4-(6-chloroimidazo[1,2-a]pyrazin-8-yl)-3-methylmorpholine);6,8-dichloroimidazo[1,2-a]pyrazine;3,5-dichloropyrazin-2-amine;N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide is C[C@@H]1COCCN1.C[C@@H]1COCCN1c1nc(Cl)cn2ccnc12.C[C@@H]1COCCN1c1nc(Cl)cn2ccnc12.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cn2ccnc2c(N2CCOC[C@H]2C)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cn2ccnc2c(Cl)n1.Nc1ncc(Cl)nc1Cl.O=CCCl.

What is the InChIKey of 2-chloroacetaldehyde;bis((3R)-4-(6-chloroimidazo[1,2-a]pyrazin-8-yl)-3-methylmorpholine);6,8-dichloroimidazo[1,2-a]pyrazine;3,5-dichloropyrazin-2-amine;N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide?

The InChIKey is LGRDRWPJQAELIF-HWHVEYGLSA-N. The full InChI is InChI=1S/C26H24F3N5O2.C21H23BF3NO3.2C11H13ClN4O.C6H3Cl2N3.C5H11NO.C4H3Cl2N3.C2H3ClO/c1-16-6-7-20(31-25(35)18-4-3-5-19(12-18)26(27,28)29)13-21(16)22-14-33-9-8-30-23(33)24(32-22)34-10-11-36-15-17(34)2;1-13-9-10-16(12-17(13)22-28-19(2,3)20(4,5)29-22)26-18(27)14-7-6-8-15(11-14)21(23,24)25;2*1-8-7-17-5-4-16(8)11-10-13-2-3-15(10)6-9(12)14-11;7-4-3-11-2-1-9-6(11)5(8)10-4;1-5-4-7-3-2-6-5;5-2-1-8-4(7)3(6)9-2;3-1-2-4/h3-9,12-14,17H,10-11,15H2,1-2H3,(H,31,35);6-12H,1-5H3,(H,26,27);2*2-3,6,8H,4-5,7H2,1H3;1-3H;5-6H,2-4H2,1H3;1H,(H2,7,8);2H,1H2/t17-;;2*8-;;5-;;/m1.11.1../s1.

What are the key properties of 2-chloroacetaldehyde;bis((3R)-4-(6-chloroimidazo[1,2-a]pyrazin-8-yl)-3-methylmorpholine);6,8-dichloroimidazo[1,2-a]pyrazine;3,5-dichloropyrazin-2-amine;N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide?

2-chloroacetaldehyde;bis((3R)-4-(6-chloroimidazo[1,2-a]pyrazin-8-yl)-3-methylmorpholine);6,8-dichloroimidazo[1,2-a]pyrazine;3,5-dichloropyrazin-2-amine;N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1937.80 g/mol, XLogP of 16.80, 10 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloroacetaldehyde;bis((3R)-4-(6-chloroimidazo[1,2-a]pyrazin-8-yl)-3-methylmorpholine);6,8-dichloroimidazo[1,2-a]pyrazine;3,5-dichloropyrazin-2-amine;N-[4-methyl-3-[8-[(3R)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;(3R)-3-methylmorpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159345514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).