3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)acetic acid

C32H35FN6O4S — CID 159433044

About 3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)acetic acid

3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)acetic acid (PubChem CID 159433044) has the molecular formula C32H35FN6O4S and a molecular weight of 618.74 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)acetic acid.

Molecular Properties

• Compound Name: 3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)acetic acid
• PubChem CID: 159433044
• Molecular Formula: C32H35FN6O4S
• Molecular Weight: 618.74 g/mol
• Exact Mass: 618.24
• IUPAC Name: 3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)acetic acid
• SMILES: CN(C)CC(=O)O.Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CCCC5)n5ccnc(N)c45)cc3)c2)s1
• InChI: InChI=1S/C28H26FN5O2S.C4H9NO2/c1-17-32-15-24(37-17)16-35-22-12-20(29)13-23(14-22)36-21-8-6-18(7-9-21)25-26-27(30)31-10-11-34(26)28(33-25)19-4-2-3-5-19;1-5(2)3-4(6)7/h6-15,19H,2-5,16H2,1H3,(H2,30,31);3H2,1-2H3,(H,6,7)
• InChIKey: LRFMVCSOJSRBSL-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 128.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.74
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)acetic acid (CID 159433044) is 3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)acetic acid.

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

The canonical SMILES for 3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)acetic acid is CN(C)CC(=O)O.Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CCCC5)n5ccnc(N)c45)cc3)c2)s1.

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

The InChIKey is LRFMVCSOJSRBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2S.C4H9NO2/c1-17-32-15-24(37-17)16-35-22-12-20(29)13-23(14-22)36-21-8-6-18(7-9-21)25-26-27(30)31-10-11-34(26)28(33-25)19-4-2-3-5-19;1-5(2)3-4(6)7/h6-15,19H,2-5,16H2,1H3,(H2,30,31);3H2,1-2H3,(H,6,7).

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

3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)acetic acid has a molecular weight of 618.74 g/mol, XLogP of 6.54, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)acetic acid is sourced from PubChem (CID 159433044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).