8-bromo-3-fluoroimidazo[1,2-a]pyrazine;8-bromoimidazo[1,2-a]pyrazine;[(2R,5R)-5-(3-fluoroimidazo[1,2-a]pyrazin-8-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C48H45Br2F2N17O4 — CID 158022957

About 8-bromo-3-fluoroimidazo[1,2-a]pyrazine;8-bromoimidazo[1,2-a]pyrazine;[(2R,5R)-5-(3-fluoroimidazo[1,2-a]pyrazin-8-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

8-bromo-3-fluoroimidazo[1,2-a]pyrazine;8-bromoimidazo[1,2-a]pyrazine;[(2R,5R)-5-(3-fluoroimidazo[1,2-a]pyrazin-8-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 158022957) has the molecular formula C48H45Br2F2N17O4 and a molecular weight of 1121.81 g/mol. Its IUPAC name is 8-bromo-3-fluoroimidazo[1,2-a]pyrazine;8-bromoimidazo[1,2-a]pyrazine;[(2R,5R)-5-(3-fluoroimidazo[1,2-a]pyrazin-8-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

• Compound Name: 8-bromo-3-fluoroimidazo[1,2-a]pyrazine;8-bromoimidazo[1,2-a]pyrazine;[(2R,5R)-5-(3-fluoroimidazo[1,2-a]pyrazin-8-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
• PubChem CID: 158022957
• Molecular Formula: C48H45Br2F2N17O4
• Molecular Weight: 1121.81 g/mol
• Exact Mass: 1119.22
• IUPAC Name: 8-bromo-3-fluoroimidazo[1,2-a]pyrazine;8-bromoimidazo[1,2-a]pyrazine;[(2R,5R)-5-(3-fluoroimidazo[1,2-a]pyrazin-8-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
• SMILES: Brc1nccn2ccnc12.C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](Oc2nccn3c(F)cnc23)CN1C(=O)c1ccccc1-n1nccn1.Fc1cnc2c(Br)nccn12
• InChI: InChI=1S/C21H20FN7O2.C15H18N4O2.C6H3BrFN3.C6H4BrN3/c1-14-6-7-15(31-20-19-24-12-18(22)27(19)11-10-23-20)13-28(14)21(30)16-4-2-3-5-17(16)29-25-8-9-26-29;1-11-6-7-12(20)10-18(11)15(21)13-4-2-3-5-14(13)19-16-8-9-17-19;7-5-6-10-3-4(8)11(6)2-1-9-5;7-5-6-9-2-4-10(6)3-1-8-5/h2-5,8-12,14-15H,6-7,13H2,1H3;2-5,8-9,11-12,20H,6-7,10H2,1H3;1-3H;1-4H/t14-,15-;11-,12-;;/m11../s1
• InChIKey: FGGRAZLARIGIOV-AAAUQSFJSA-N
• XLogP: 6.90
• TPSA: 222.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1121.81
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-fluoroimidazo[1,2-a]pyrazine;8-bromoimidazo[1,2-a]pyrazine;[(2R,5R)-5-(3-fluoroimidazo[1,2-a]pyrazin-8-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?

The IUPAC name of 8-bromo-3-fluoroimidazo[1,2-a]pyrazine;8-bromoimidazo[1,2-a]pyrazine;[(2R,5R)-5-(3-fluoroimidazo[1,2-a]pyrazin-8-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 158022957) is 8-bromo-3-fluoroimidazo[1,2-a]pyrazine;8-bromoimidazo[1,2-a]pyrazine;[(2R,5R)-5-(3-fluoroimidazo[1,2-a]pyrazin-8-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

What is the SMILES notation for 8-bromo-3-fluoroimidazo[1,2-a]pyrazine;8-bromoimidazo[1,2-a]pyrazine;[(2R,5R)-5-(3-fluoroimidazo[1,2-a]pyrazin-8-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?

The canonical SMILES for 8-bromo-3-fluoroimidazo[1,2-a]pyrazine;8-bromoimidazo[1,2-a]pyrazine;[(2R,5R)-5-(3-fluoroimidazo[1,2-a]pyrazin-8-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is Brc1nccn2ccnc12.C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccccc1-n1nccn1.C[C@@H]1CC[C@@H](Oc2nccn3c(F)cnc23)CN1C(=O)c1ccccc1-n1nccn1.Fc1cnc2c(Br)nccn12.

What is the InChIKey of 8-bromo-3-fluoroimidazo[1,2-a]pyrazine;8-bromoimidazo[1,2-a]pyrazine;[(2R,5R)-5-(3-fluoroimidazo[1,2-a]pyrazin-8-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?

The InChIKey is FGGRAZLARIGIOV-AAAUQSFJSA-N. The full InChI is InChI=1S/C21H20FN7O2.C15H18N4O2.C6H3BrFN3.C6H4BrN3/c1-14-6-7-15(31-20-19-24-12-18(22)27(19)11-10-23-20)13-28(14)21(30)16-4-2-3-5-17(16)29-25-8-9-26-29;1-11-6-7-12(20)10-18(11)15(21)13-4-2-3-5-14(13)19-16-8-9-17-19;7-5-6-10-3-4(8)11(6)2-1-9-5;7-5-6-9-2-4-10(6)3-1-8-5/h2-5,8-12,14-15H,6-7,13H2,1H3;2-5,8-9,11-12,20H,6-7,10H2,1H3;1-3H;1-4H/t14-,15-;11-,12-;;/m11../s1.

What are the key properties of 8-bromo-3-fluoroimidazo[1,2-a]pyrazine;8-bromoimidazo[1,2-a]pyrazine;[(2R,5R)-5-(3-fluoroimidazo[1,2-a]pyrazin-8-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?

8-bromo-3-fluoroimidazo[1,2-a]pyrazine;8-bromoimidazo[1,2-a]pyrazine;[(2R,5R)-5-(3-fluoroimidazo[1,2-a]pyrazin-8-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 1121.81 g/mol, XLogP of 6.90, 6 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-3-fluoroimidazo[1,2-a]pyrazine;8-bromoimidazo[1,2-a]pyrazine;[(2R,5R)-5-(3-fluoroimidazo[1,2-a]pyrazin-8-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 158022957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).