3-amino-6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;tris(3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid

C116H122B3Br2ClF15IN36O14 — CID 162234049

About 3-amino-6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;tris(3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid

3-amino-6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;tris(3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid (PubChem CID 162234049) has the molecular formula C116H122B3Br2ClF15IN36O14 and a molecular weight of 2884.06 g/mol. Its IUPAC name is 3-amino-6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;tris(3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid.

Molecular Properties

• Compound Name: 3-amino-6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;tris(3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid
• PubChem CID: 162234049
• Molecular Formula: C116H122B3Br2ClF15IN36O14
• Molecular Weight: 2884.06 g/mol
• Exact Mass: 2880.71
• IUPAC Name: 3-amino-6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;tris(3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid
• SMILES: Brc1ccc2ncc(I)n2c1.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN1CCCC1CNC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ncco2)nc1N.CN1CCCC1CNC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ncco2)nc1N.CN1CCCC1CNC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ncco2)nc1N.CN1CCCC1CNC(=O)c1nc(Cl)c(-c2ncco2)nc1N.FC(F)(F)c1cnc2ccc(Br)cn12.OB(O)c1ccc2ncc(C(F)(F)F)n2c1
• InChI: InChI=1S/3C22H21F3N8O2.C14H17ClN6O2.C12H24B2O4.C8H6BF3N2O2.C8H4BrF3N2.C7H4BrIN2.CH4/c3*1-32-7-2-3-13(32)9-29-20(34)18-19(26)31-17(21-27-6-8-35-21)16(30-18)12-4-5-15-28-10-14(22(23,24)25)33(15)11-12;1-21-5-2-3-8(21)7-18-13(22)10-12(16)20-9(11(15)19-10)14-17-4-6-23-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-8(11,12)6-3-13-7-2-1-5(9(15)16)4-14(6)7;9-5-1-2-7-13-3-6(8(10,11)12)14(7)4-5;8-5-1-2-7-10-3-6(9)11(7)4-5;/h3*4-6,8,10-11,13H,2-3,7,9H2,1H3,(H2,26,31)(H,29,34);4,6,8H,2-3,5,7H2,1H3,(H2,16,20)(H,18,22);1-8H3;1-4,15-16H;1-4H;1-4H;1H4
• InChIKey: ZVVDBHCNAGCNGN-UHFFFAOYSA-N
• XLogP: 18.54
• TPSA: 621.86 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 46
• Rotatable Bonds: 21
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2884.06
LogP ≤ 5	18.54
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;tris(3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid?

The IUPAC name of 3-amino-6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;tris(3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid (CID 162234049) is 3-amino-6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;tris(3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid.

What is the SMILES notation for 3-amino-6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;tris(3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid?

The canonical SMILES for 3-amino-6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;tris(3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid is Brc1ccc2ncc(I)n2c1.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN1CCCC1CNC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ncco2)nc1N.CN1CCCC1CNC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ncco2)nc1N.CN1CCCC1CNC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ncco2)nc1N.CN1CCCC1CNC(=O)c1nc(Cl)c(-c2ncco2)nc1N.FC(F)(F)c1cnc2ccc(Br)cn12.OB(O)c1ccc2ncc(C(F)(F)F)n2c1.

What is the InChIKey of 3-amino-6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;tris(3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid?

The InChIKey is ZVVDBHCNAGCNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H21F3N8O2.C14H17ClN6O2.C12H24B2O4.C8H6BF3N2O2.C8H4BrF3N2.C7H4BrIN2.CH4/c3*1-32-7-2-3-13(32)9-29-20(34)18-19(26)31-17(21-27-6-8-35-21)16(30-18)12-4-5-15-28-10-14(22(23,24)25)33(15)11-12;1-21-5-2-3-8(21)7-18-13(22)10-12(16)20-9(11(15)19-10)14-17-4-6-23-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-8(11,12)6-3-13-7-2-1-5(9(15)16)4-14(6)7;9-5-1-2-7-13-3-6(8(10,11)12)14(7)4-5;8-5-1-2-7-10-3-6(9)11(7)4-5;/h3*4-6,8,10-11,13H,2-3,7,9H2,1H3,(H2,26,31)(H,29,34);4,6,8H,2-3,5,7H2,1H3,(H2,16,20)(H,18,22);1-8H3;1-4,15-16H;1-4H;1-4H;1H4.

What are the key properties of 3-amino-6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;tris(3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid?

3-amino-6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;tris(3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid has a molecular weight of 2884.06 g/mol, XLogP of 18.54, 21 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;tris(3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazine-2-carboxamide);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid is sourced from PubChem (CID 162234049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).