3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol

C29H27FN6O3 — CID 118102308

About 3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol

3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (PubChem CID 118102308) has the molecular formula C29H27FN6O3 and a molecular weight of 526.57 g/mol. Its IUPAC name is 3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

• Compound Name: 3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
• PubChem CID: 118102308
• Molecular Formula: C29H27FN6O3
• Molecular Weight: 526.57 g/mol
• Exact Mass: 526.21
• IUPAC Name: 3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
• SMILES: Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CC(C)(O)C5)n5ccnc(N)c45)cc3)c2)cn1
• InChI: InChI=1S/C29H27FN6O3/c1-17-33-14-18(15-34-17)16-38-23-9-21(30)10-24(11-23)39-22-5-3-19(4-6-22)25-26-27(31)32-7-8-36(26)28(35-25)20-12-29(2,37)13-20/h3-11,14-15,20,37H,12-13,16H2,1-2H3,(H2,31,32)
• InChIKey: KRLJVWZSYZZSER-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 120.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.57
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (CID 118102308) is 3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.

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

The canonical SMILES for 3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CC(C)(O)C5)n5ccnc(N)c45)cc3)c2)cn1.

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

The InChIKey is KRLJVWZSYZZSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6O3/c1-17-33-14-18(15-34-17)16-38-23-9-21(30)10-24(11-23)39-22-5-3-19(4-6-22)25-26-27(31)32-7-8-36(26)28(35-25)20-12-29(2,37)13-20/h3-11,14-15,20,37H,12-13,16H2,1-2H3,(H2,31,32).

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

3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol has a molecular weight of 526.57 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-amino-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 118102308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).