1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine

C28H26FN5O2 — CID 118102238

About 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine

1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 118102238) has the molecular formula C28H26FN5O2 and a molecular weight of 483.55 g/mol. Its IUPAC name is 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 118102238
• Molecular Formula: C28H26FN5O2
• Molecular Weight: 483.55 g/mol
• Exact Mass: 483.21
• IUPAC Name: 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
• SMILES: Cc1ccc(COc2cc(F)cc(Oc3ccc(-c4nc(C(C)C)n5ccnc(N)c45)cc3)c2)cn1
• InChI: InChI=1S/C28H26FN5O2/c1-17(2)28-33-25(26-27(30)31-10-11-34(26)28)20-6-8-22(9-7-20)36-24-13-21(29)12-23(14-24)35-16-19-5-4-18(3)32-15-19/h4-15,17H,16H2,1-3H3,(H2,30,31)
• InChIKey: VFUUBYIJQVZFFW-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 87.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.55
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine (CID 118102238) is 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine is Cc1ccc(COc2cc(F)cc(Oc3ccc(-c4nc(C(C)C)n5ccnc(N)c45)cc3)c2)cn1.

What is the InChIKey of 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?

The InChIKey is VFUUBYIJQVZFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2/c1-17(2)28-33-25(26-27(30)31-10-11-34(26)28)20-6-8-22(9-7-20)36-24-13-21(29)12-23(14-24)35-16-19-5-4-18(3)32-15-19/h4-15,17H,16H2,1-3H3,(H2,30,31).

What are the key properties of 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?

1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 483.55 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 118102238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).