methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid

C20H22F3N5O8 — CID 66668148

About methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid

methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 66668148) has the molecular formula C20H22F3N5O8 and a molecular weight of 517.42 g/mol. Its IUPAC name is methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid
• PubChem CID: 66668148
• Molecular Formula: C20H22F3N5O8
• Molecular Weight: 517.42 g/mol
• Exact Mass: 517.14
• IUPAC Name: methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid
• SMILES: COC(=O)c1nc2c(N3CCOC3=O)cc(N3CCN(C)CC3)cn2c(=O)c1O.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H21N5O6.C2HF3O2/c1-20-3-5-21(6-4-20)11-9-12(22-7-8-29-18(22)27)15-19-13(17(26)28-2)14(24)16(25)23(15)10-11;3-2(4,5)1(6)7/h9-10,24H,3-8H2,1-2H3;(H,6,7)
• InChIKey: DTNFTBSZGUWMHF-UHFFFAOYSA-N
• XLogP: 0.53
• TPSA: 154.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.42
LogP ≤ 5	0.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid?

The IUPAC name of methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid (CID 66668148) is methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid.

What is the SMILES notation for methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid?

The canonical SMILES for methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid is COC(=O)c1nc2c(N3CCOC3=O)cc(N3CCN(C)CC3)cn2c(=O)c1O.O=C(O)C(F)(F)F.

What is the InChIKey of methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid?

The InChIKey is DTNFTBSZGUWMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O6.C2HF3O2/c1-20-3-5-21(6-4-20)11-9-12(22-7-8-29-18(22)27)15-19-13(17(26)28-2)14(24)16(25)23(15)10-11;3-2(4,5)1(6)7/h9-10,24H,3-8H2,1-2H3;(H,6,7).

What are the key properties of methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid?

methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 517.42 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-hydroxy-7-(4-methylpiperazin-1-yl)-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)pyrido[1,2-a]pyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66668148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).