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

C30H28FN5O2 — CID 118102295

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

3-cyclopentyl-1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 118102295) has the molecular formula C30H28FN5O2 and a molecular weight of 509.59 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 3-cyclopentyl-1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 118102295
• Molecular Formula: C30H28FN5O2
• Molecular Weight: 509.59 g/mol
• Exact Mass: 509.22
• IUPAC Name: 3-cyclopentyl-1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
• SMILES: Cc1ccc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CCCC5)n5ccnc(N)c45)cc3)c2)cn1
• InChI: InChI=1S/C30H28FN5O2/c1-19-6-7-20(17-34-19)18-37-25-14-23(31)15-26(16-25)38-24-10-8-21(9-11-24)27-28-29(32)33-12-13-36(28)30(35-27)22-4-2-3-5-22/h6-17,22H,2-5,18H2,1H3,(H2,32,33)
• InChIKey: UVMVZDIDIGURGT-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 87.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.59
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-cyclopentyl-1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine (CID 118102295) is 3-cyclopentyl-1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine.

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

The canonical SMILES for 3-cyclopentyl-1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine is Cc1ccc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CCCC5)n5ccnc(N)c45)cc3)c2)cn1.

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

The InChIKey is UVMVZDIDIGURGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O2/c1-19-6-7-20(17-34-19)18-37-25-14-23(31)15-26(16-25)38-24-10-8-21(9-11-24)27-28-29(32)33-12-13-36(28)30(35-27)22-4-2-3-5-22/h6-17,22H,2-5,18H2,1H3,(H2,32,33).

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

3-cyclopentyl-1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 509.59 g/mol, XLogP of 6.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 118102295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).