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

C29H27FN6O2 — CID 118102307

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

3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 118102307) has the molecular formula C29H27FN6O2 and a molecular weight of 510.57 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 118102307
• Molecular Formula: C29H27FN6O2
• Molecular Weight: 510.57 g/mol
• Exact Mass: 510.22
• IUPAC Name: 3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
• SMILES: Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CCCC5)n5ccnc(N)c45)cc3)c2)cn1
• InChI: InChI=1S/C29H27FN6O2/c1-18-33-15-19(16-34-18)17-37-24-12-22(30)13-25(14-24)38-23-8-6-20(7-9-23)26-27-28(31)32-10-11-36(27)29(35-26)21-4-2-3-5-21/h6-16,21H,2-5,17H2,1H3,(H2,31,32)
• InChIKey: OSNKSSGESKJQNR-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 100.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.57
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine (CID 118102307) is 3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine.

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

The canonical SMILES for 3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine is Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CCCC5)n5ccnc(N)c45)cc3)c2)cn1.

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

The InChIKey is OSNKSSGESKJQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6O2/c1-18-33-15-19(16-34-18)17-37-24-12-22(30)13-25(14-24)38-23-8-6-20(7-9-23)26-27-28(31)32-10-11-36(27)29(35-26)21-4-2-3-5-21/h6-16,21H,2-5,17H2,1H3,(H2,31,32).

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

3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 510.57 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 118102307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).