1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine

C30H28FN5O3 — CID 118102239

About 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine

1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 118102239) has the molecular formula C30H28FN5O3 and a molecular weight of 525.58 g/mol. Its IUPAC name is 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 118102239
• Molecular Formula: C30H28FN5O3
• Molecular Weight: 525.58 g/mol
• Exact Mass: 525.22
• IUPAC Name: 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
• SMILES: Cc1ccc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CCOCC5)n5ccnc(N)c45)cc3)c2)cn1
• InChI: InChI=1S/C30H28FN5O3/c1-19-2-3-20(17-34-19)18-38-25-14-23(31)15-26(16-25)39-24-6-4-21(5-7-24)27-28-29(32)33-10-11-36(28)30(35-27)22-8-12-37-13-9-22/h2-7,10-11,14-17,22H,8-9,12-13,18H2,1H3,(H2,32,33)
• InChIKey: HWPMTKOLLDZJMV-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 96.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.58
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine (CID 118102239) is 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[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-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine is Cc1ccc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CCOCC5)n5ccnc(N)c45)cc3)c2)cn1.

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

The InChIKey is HWPMTKOLLDZJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O3/c1-19-2-3-20(17-34-19)18-38-25-14-23(31)15-26(16-25)39-24-6-4-21(5-7-24)27-28-29(32)33-10-11-36(28)30(35-27)22-8-12-37-13-9-22/h2-7,10-11,14-17,22H,8-9,12-13,18H2,1H3,(H2,32,33).

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

1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 525.58 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 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-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 118102239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).