(3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C21H24F3N5O3 — CID 90286672

About (3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

(3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 90286672) has the molecular formula C21H24F3N5O3 and a molecular weight of 451.45 g/mol. Its IUPAC name is (3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

• Compound Name: (3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
• PubChem CID: 90286672
• Molecular Formula: C21H24F3N5O3
• Molecular Weight: 451.45 g/mol
• Exact Mass: 451.18
• IUPAC Name: (3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
• SMILES: Cc1cn(-c2ccc3n(c2=O)C[C@@H](C)N(CC(=O)N2CCCC(C(F)(F)F)C2)C3=O)cn1
• InChI: InChI=1S/C21H24F3N5O3/c1-13-8-27(12-25-13)16-5-6-17-20(32)28(14(2)9-29(17)19(16)31)11-18(30)26-7-3-4-15(10-26)21(22,23)24/h5-6,8,12,14-15H,3-4,7,9-11H2,1-2H3/t14-,15?/m1/s1
• InChIKey: KDTFDEQCFVANCL-GICMACPYSA-N
• XLogP: 1.99
• TPSA: 80.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.45
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

The IUPAC name of (3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 90286672) is (3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

What is the SMILES notation for (3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

The canonical SMILES for (3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)C[C@@H](C)N(CC(=O)N2CCCC(C(F)(F)F)C2)C3=O)cn1.

What is the InChIKey of (3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

The InChIKey is KDTFDEQCFVANCL-GICMACPYSA-N. The full InChI is InChI=1S/C21H24F3N5O3/c1-13-8-27(12-25-13)16-5-6-17-20(32)28(14(2)9-29(17)19(16)31)11-18(30)26-7-3-4-15(10-26)21(22,23)24/h5-6,8,12,14-15H,3-4,7,9-11H2,1-2H3/t14-,15?/m1/s1.

What are the key properties of (3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?

(3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 451.45 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-methyl-7-(4-methylimidazol-1-yl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 90286672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).