1-[4-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine

C60H58F2N14O5 — CID 159493966

About 1-[4-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine

1-[4-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 159493966) has the molecular formula C60H58F2N14O5 and a molecular weight of 1093.21 g/mol. Its IUPAC name is 1-[4-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 1-[4-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 159493966
• Molecular Formula: C60H58F2N14O5
• Molecular Weight: 1093.21 g/mol
• Exact Mass: 1092.47
• IUPAC Name: 1-[4-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine
• SMILES: CC(=O)N1CCC(c2nc(-c3ccc(Oc4cc(F)cc(OCc5cnc(C)nc5)c4)cc3)c3c(N)nccn23)CC1.Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CCNCC5)n5ccnc(N)c45)cc3)c2)cn1
• InChI: InChI=1S/C31H30FN7O3.C29H28FN7O2/c1-19-35-16-21(17-36-19)18-41-26-13-24(32)14-27(15-26)42-25-5-3-22(4-6-25)28-29-30(33)34-9-12-39(29)31(37-28)23-7-10-38(11-8-23)20(2)40;1-18-34-15-19(16-35-18)17-38-24-12-22(30)13-25(14-24)39-23-4-2-20(3-5-23)26-27-28(31)33-10-11-37(27)29(36-26)21-6-8-32-9-7-21/h3-6,9,12-17,23H,7-8,10-11,18H2,1-2H3,(H2,33,34);2-5,10-16,21,32H,6-9,17H2,1H3,(H2,31,33)
• InChIKey: LYNVCXUHPQIQPM-UHFFFAOYSA-N
• XLogP: 10.37
• TPSA: 233.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1093.21
LogP ≤ 5	10.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of 1-[4-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine (CID 159493966) is 1-[4-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 1-[4-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 1-[4-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine is CC(=O)N1CCC(c2nc(-c3ccc(Oc4cc(F)cc(OCc5cnc(C)nc5)c4)cc3)c3c(N)nccn23)CC1.Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CCNCC5)n5ccnc(N)c45)cc3)c2)cn1.

What is the InChIKey of 1-[4-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine?

The InChIKey is LYNVCXUHPQIQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN7O3.C29H28FN7O2/c1-19-35-16-21(17-36-19)18-41-26-13-24(32)14-27(15-26)42-25-5-3-22(4-6-25)28-29-30(33)34-9-12-39(29)31(37-28)23-7-10-38(11-8-23)20(2)40;1-18-34-15-19(16-35-18)17-38-24-12-22(30)13-25(14-24)39-23-4-2-20(3-5-23)26-27-28(31)33-10-11-37(27)29(36-26)21-6-8-32-9-7-21/h3-6,9,12-17,23H,7-8,10-11,18H2,1-2H3,(H2,33,34);2-5,10-16,21,32H,6-9,17H2,1H3,(H2,31,33).

What are the key properties of 1-[4-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine?

1-[4-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1093.21 g/mol, XLogP of 10.37, 14 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]ethanone;1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 159493966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).