2-bromo-5H-pyrrolo[2,3-b]pyrazine;(4,4-difluorocyclohexyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;6-[7-[(4,4-difluorocyclohexyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-5-yl]pyridine-3-carboxylic acid;4-[7-[(4,4-difluorocyclohexyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-1,2-oxazole

C77H77BrF6N20O7 — CID 160960144

About 2-bromo-5H-pyrrolo[2,3-b]pyrazine;(4,4-difluorocyclohexyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;6-[7-[(4,4-difluorocyclohexyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-5-yl]pyridine-3-carboxylic acid;4-[7-[(4,4-difluorocyclohexyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-1,2-oxazole

2-bromo-5H-pyrrolo[2,3-b]pyrazine;(4,4-difluorocyclohexyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;6-[7-[(4,4-difluorocyclohexyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-5-yl]pyridine-3-carboxylic acid;4-[7-[(4,4-difluorocyclohexyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-1,2-oxazole (PubChem CID 160960144) has the molecular formula C77H77BrF6N20O7 and a molecular weight of 1588.49 g/mol. Its IUPAC name is 2-bromo-5H-pyrrolo[2,3-b]pyrazine;(4,4-difluorocyclohexyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;6-[7-[(4,4-difluorocyclohexyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-5-yl]pyridine-3-carboxylic acid;4-[7-[(4,4-difluorocyclohexyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-1,2-oxazole.

Molecular Properties

• Compound Name: 2-bromo-5H-pyrrolo[2,3-b]pyrazine;(4,4-difluorocyclohexyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;6-[7-[(4,4-difluorocyclohexyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-5-yl]pyridine-3-carboxylic acid;4-[7-[(4,4-difluorocyclohexyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-1,2-oxazole
• PubChem CID: 160960144
• Molecular Formula: C77H77BrF6N20O7
• Molecular Weight: 1588.49 g/mol
• Exact Mass: 1586.54
• IUPAC Name: 2-bromo-5H-pyrrolo[2,3-b]pyrazine;(4,4-difluorocyclohexyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;6-[7-[(4,4-difluorocyclohexyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-5-yl]pyridine-3-carboxylic acid;4-[7-[(4,4-difluorocyclohexyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-1,2-oxazole
• SMILES: Brc1cnc2[nH]ccc2n1.Cc1noc(C)c1-c1cnc2[nH]cc(C(O)C3CCC(F)(F)CC3)c2n1.Cc1noc(C)c1-c1cnc2[nH]cc(CC3CCC(F)(F)CC3)c2n1.Cc1noc(C)c1-c1cnc2[nH]ccc2n1.Cc1noc(C)c1-c1cnc2c(n1)c(CC1CCC(F)(F)CC1)cn2-c1ccc(C(=O)O)cn1
• InChI: InChI=1S/C24H23F2N5O3.C18H20F2N4O2.C18H20F2N4O.C11H10N4O.C6H4BrN3/c1-13-20(14(2)34-30-13)18-11-28-22-21(29-18)17(9-15-5-7-24(25,26)8-6-15)12-31(22)19-4-3-16(10-27-19)23(32)33;1-9-14(10(2)26-24-9)13-8-22-17-15(23-13)12(7-21-17)16(25)11-3-5-18(19,20)6-4-11;1-10-15(11(2)25-24-10)14-9-22-17-16(23-14)13(8-21-17)7-12-3-5-18(19,20)6-4-12;1-6-10(7(2)16-15-6)9-5-13-11-8(14-9)3-4-12-11;7-5-3-9-6-4(10-5)1-2-8-6/h3-4,10-12,15H,5-9H2,1-2H3,(H,32,33);7-8,11,16,25H,3-6H2,1-2H3,(H,21,22);8-9,12H,3-7H2,1-2H3,(H,21,22);3-5H,1-2H3,(H,12,13);1-3H,(H,8,9)
• InChIKey: SWXFWSJSQCRIMY-UHFFFAOYSA-N
• XLogP: 17.79
• TPSA: 371.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1588.49
LogP ≤ 5	17.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5H-pyrrolo[2,3-b]pyrazine;(4,4-difluorocyclohexyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;6-[7-[(4,4-difluorocyclohexyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-5-yl]pyridine-3-carboxylic acid;4-[7-[(4,4-difluorocyclohexyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-1,2-oxazole?

The IUPAC name of 2-bromo-5H-pyrrolo[2,3-b]pyrazine;(4,4-difluorocyclohexyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;6-[7-[(4,4-difluorocyclohexyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-5-yl]pyridine-3-carboxylic acid;4-[7-[(4,4-difluorocyclohexyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-1,2-oxazole (CID 160960144) is 2-bromo-5H-pyrrolo[2,3-b]pyrazine;(4,4-difluorocyclohexyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;6-[7-[(4,4-difluorocyclohexyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-5-yl]pyridine-3-carboxylic acid;4-[7-[(4,4-difluorocyclohexyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-1,2-oxazole.

What is the SMILES notation for 2-bromo-5H-pyrrolo[2,3-b]pyrazine;(4,4-difluorocyclohexyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;6-[7-[(4,4-difluorocyclohexyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-5-yl]pyridine-3-carboxylic acid;4-[7-[(4,4-difluorocyclohexyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-1,2-oxazole?

The canonical SMILES for 2-bromo-5H-pyrrolo[2,3-b]pyrazine;(4,4-difluorocyclohexyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;6-[7-[(4,4-difluorocyclohexyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-5-yl]pyridine-3-carboxylic acid;4-[7-[(4,4-difluorocyclohexyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-1,2-oxazole is Brc1cnc2[nH]ccc2n1.Cc1noc(C)c1-c1cnc2[nH]cc(C(O)C3CCC(F)(F)CC3)c2n1.Cc1noc(C)c1-c1cnc2[nH]cc(CC3CCC(F)(F)CC3)c2n1.Cc1noc(C)c1-c1cnc2[nH]ccc2n1.Cc1noc(C)c1-c1cnc2c(n1)c(CC1CCC(F)(F)CC1)cn2-c1ccc(C(=O)O)cn1.

What is the InChIKey of 2-bromo-5H-pyrrolo[2,3-b]pyrazine;(4,4-difluorocyclohexyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;6-[7-[(4,4-difluorocyclohexyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-5-yl]pyridine-3-carboxylic acid;4-[7-[(4,4-difluorocyclohexyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-1,2-oxazole?

The InChIKey is SWXFWSJSQCRIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O3.C18H20F2N4O2.C18H20F2N4O.C11H10N4O.C6H4BrN3/c1-13-20(14(2)34-30-13)18-11-28-22-21(29-18)17(9-15-5-7-24(25,26)8-6-15)12-31(22)19-4-3-16(10-27-19)23(32)33;1-9-14(10(2)26-24-9)13-8-22-17-15(23-13)12(7-21-17)16(25)11-3-5-18(19,20)6-4-11;1-10-15(11(2)25-24-10)14-9-22-17-16(23-14)13(8-21-17)7-12-3-5-18(19,20)6-4-12;1-6-10(7(2)16-15-6)9-5-13-11-8(14-9)3-4-12-11;7-5-3-9-6-4(10-5)1-2-8-6/h3-4,10-12,15H,5-9H2,1-2H3,(H,32,33);7-8,11,16,25H,3-6H2,1-2H3,(H,21,22);8-9,12H,3-7H2,1-2H3,(H,21,22);3-5H,1-2H3,(H,12,13);1-3H,(H,8,9).

What are the key properties of 2-bromo-5H-pyrrolo[2,3-b]pyrazine;(4,4-difluorocyclohexyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;6-[7-[(4,4-difluorocyclohexyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-5-yl]pyridine-3-carboxylic acid;4-[7-[(4,4-difluorocyclohexyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-1,2-oxazole?

2-bromo-5H-pyrrolo[2,3-b]pyrazine;(4,4-difluorocyclohexyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;6-[7-[(4,4-difluorocyclohexyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-5-yl]pyridine-3-carboxylic acid;4-[7-[(4,4-difluorocyclohexyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-1,2-oxazole has a molecular weight of 1588.49 g/mol, XLogP of 17.79, 12 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5H-pyrrolo[2,3-b]pyrazine;(4,4-difluorocyclohexyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol;6-[7-[(4,4-difluorocyclohexyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyrazin-5-yl]pyridine-3-carboxylic acid;4-[7-[(4,4-difluorocyclohexyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-1,2-oxazole is sourced from PubChem (CID 160960144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).