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

C32H35FN6O5S — CID 158668239

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

2-(dimethylamino)acetic acid;1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 158668239) has the molecular formula C32H35FN6O5S and a molecular weight of 634.73 g/mol. Its IUPAC name is 2-(dimethylamino)acetic acid;1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 2-(dimethylamino)acetic acid;1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 158668239
• Molecular Formula: C32H35FN6O5S
• Molecular Weight: 634.73 g/mol
• Exact Mass: 634.24
• IUPAC Name: 2-(dimethylamino)acetic acid;1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
• SMILES: CN(C)CC(=O)O.Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CCOCC5)n5ccnc(N)c45)cc3)c2)s1
• InChI: InChI=1S/C28H26FN5O3S.C4H9NO2/c1-17-32-15-24(38-17)16-36-22-12-20(29)13-23(14-22)37-21-4-2-18(3-5-21)25-26-27(30)31-8-9-34(26)28(33-25)19-6-10-35-11-7-19;1-5(2)3-4(6)7/h2-5,8-9,12-15,19H,6-7,10-11,16H2,1H3,(H2,30,31);3H2,1-2H3,(H,6,7)
• InChIKey: IDPYQYBMSFBPCG-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 137.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	634.73
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 2-(dimethylamino)acetic acid;1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine (CID 158668239) is 2-(dimethylamino)acetic acid;1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine.

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

The canonical SMILES for 2-(dimethylamino)acetic acid;1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine is CN(C)CC(=O)O.Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CCOCC5)n5ccnc(N)c45)cc3)c2)s1.

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

The InChIKey is IDPYQYBMSFBPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O3S.C4H9NO2/c1-17-32-15-24(38-17)16-36-22-12-20(29)13-23(14-22)37-21-4-2-18(3-5-21)25-26-27(30)31-8-9-34(26)28(33-25)19-6-10-35-11-7-19;1-5(2)3-4(6)7/h2-5,8-9,12-15,19H,6-7,10-11,16H2,1H3,(H2,30,31);3H2,1-2H3,(H,6,7).

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

2-(dimethylamino)acetic acid;1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 634.73 g/mol, XLogP of 5.78, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)acetic acid;1-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 158668239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).