9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one

C24H22F4N6O2 — CID 177152230

About 9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one

9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one (PubChem CID 177152230) has the molecular formula C24H22F4N6O2 and a molecular weight of 502.47 g/mol. Its IUPAC name is 9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one
• PubChem CID: 177152230
• Molecular Formula: C24H22F4N6O2
• Molecular Weight: 502.47 g/mol
• Exact Mass: 502.17
• IUPAC Name: 9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one
• SMILES: Cc1nc2c(-c3ccc(C(F)(F)F)cc3F)nc(N3CCO[C@@H](c4cnn(C)c4)C3)cn2c(=O)c1C
• InChI: InChI=1S/C24H22F4N6O2/c1-13-14(2)30-22-21(17-5-4-16(8-18(17)25)24(26,27)28)31-20(12-34(22)23(13)35)33-6-7-36-19(11-33)15-9-29-32(3)10-15/h4-5,8-10,12,19H,6-7,11H2,1-3H3/t19-/m1/s1
• InChIKey: QRJDTUHSBNELAG-LJQANCHMSA-N
• XLogP: 3.84
• TPSA: 77.55 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.47
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one?

The IUPAC name of 9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one (CID 177152230) is 9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one?

The canonical SMILES for 9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one is Cc1nc2c(-c3ccc(C(F)(F)F)cc3F)nc(N3CCO[C@@H](c4cnn(C)c4)C3)cn2c(=O)c1C.

What is the InChIKey of 9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one?

The InChIKey is QRJDTUHSBNELAG-LJQANCHMSA-N. The full InChI is InChI=1S/C24H22F4N6O2/c1-13-14(2)30-22-21(17-5-4-16(8-18(17)25)24(26,27)28)31-20(12-34(22)23(13)35)33-6-7-36-19(11-33)15-9-29-32(3)10-15/h4-5,8-10,12,19H,6-7,11H2,1-3H3/t19-/m1/s1.

What are the key properties of 9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one?

9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 502.47 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 177152230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).