1-[3-amino-6-chloro-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one;tris(1-[3-amino-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;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

C119H122B3Br2ClF15IN32O14 — CID 158714455

About 1-[3-amino-6-chloro-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one;tris(1-[3-amino-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;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

1-[3-amino-6-chloro-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one;tris(1-[3-amino-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;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 158714455) has the molecular formula C119H122B3Br2ClF15IN32O14 and a molecular weight of 2864.07 g/mol. Its IUPAC name is 1-[3-amino-6-chloro-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one;tris(1-[3-amino-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;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: 1-[3-amino-6-chloro-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one;tris(1-[3-amino-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;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: 158714455
• Molecular Formula: C119H122B3Br2ClF15IN32O14
• Molecular Weight: 2864.07 g/mol
• Exact Mass: 2860.70
• IUPAC Name: 1-[3-amino-6-chloro-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one;tris(1-[3-amino-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;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.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN1CCCC1CCC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ncco2)nc1N.CN1CCCC1CCC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ncco2)nc1N.CN1CCCC1CCC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ncco2)nc1N.CN1CCCC1CCC(=O)c1nc(Cl)c(-c2ncco2)nc1N.FC(F)(F)c1cnc2ccc(Br)cn12.OB(O)c1ccc2ncc(C(F)(F)F)n2c1
• InChI: InChI=1S/3C23H22F3N7O2.C15H18ClN5O2.C12H24B2O4.C8H6BF3N2O2.C8H4BrF3N2.C7H4BrIN2/c3*1-32-9-2-3-14(32)5-6-15(34)19-21(27)31-20(22-28-8-10-35-22)18(30-19)13-4-7-17-29-11-16(23(24,25)26)33(17)12-13;1-21-7-2-3-9(21)4-5-10(22)11-14(17)20-12(13(16)19-11)15-18-6-8-23-15;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*4,7-8,10-12,14H,2-3,5-6,9H2,1H3,(H2,27,31);6,8-9H,2-5,7H2,1H3,(H2,17,20);1-8H3;1-4,15-16H;1-4H;1-4H
• InChIKey: IJDFXXVMVYRIDJ-UHFFFAOYSA-N
• XLogP: 22.84
• TPSA: 573.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 46
• Rotatable Bonds: 25
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2864.07
LogP ≤ 5	22.84
H-Bond Donors ≤ 5	6
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 1-[3-amino-6-chloro-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one;tris(1-[3-amino-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;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 1-[3-amino-6-chloro-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one;tris(1-[3-amino-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;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 158714455) is 1-[3-amino-6-chloro-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one;tris(1-[3-amino-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;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 1-[3-amino-6-chloro-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one;tris(1-[3-amino-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;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 1-[3-amino-6-chloro-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one;tris(1-[3-amino-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;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.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN1CCCC1CCC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ncco2)nc1N.CN1CCCC1CCC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ncco2)nc1N.CN1CCCC1CCC(=O)c1nc(-c2ccc3ncc(C(F)(F)F)n3c2)c(-c2ncco2)nc1N.CN1CCCC1CCC(=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 1-[3-amino-6-chloro-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one;tris(1-[3-amino-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;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 IJDFXXVMVYRIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H22F3N7O2.C15H18ClN5O2.C12H24B2O4.C8H6BF3N2O2.C8H4BrF3N2.C7H4BrIN2/c3*1-32-9-2-3-14(32)5-6-15(34)19-21(27)31-20(22-28-8-10-35-22)18(30-19)13-4-7-17-29-11-16(23(24,25)26)33(17)12-13;1-21-7-2-3-9(21)4-5-10(22)11-14(17)20-12(13(16)19-11)15-18-6-8-23-15;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*4,7-8,10-12,14H,2-3,5-6,9H2,1H3,(H2,27,31);6,8-9H,2-5,7H2,1H3,(H2,17,20);1-8H3;1-4,15-16H;1-4H;1-4H.

What are the key properties of 1-[3-amino-6-chloro-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one;tris(1-[3-amino-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;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?

1-[3-amino-6-chloro-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one;tris(1-[3-amino-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;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 2864.07 g/mol, XLogP of 22.84, 25 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-6-chloro-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one;tris(1-[3-amino-5-(1,3-oxazol-2-yl)-6-[3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);6-bromo-3-iodoimidazo[1,2-a]pyridine;6-bromo-3-(trifluoromethyl)imidazo[1,2-a]pyridine;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 158714455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).