7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-2-ethyl-9-hydroxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(hydroxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-methoxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-9-hydroxy-3'-methoxy-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione

C115H120Cl4F6N10O25 — CID 161032990

About 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-2-ethyl-9-hydroxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(hydroxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-methoxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-9-hydroxy-3'-methoxy-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione

7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-2-ethyl-9-hydroxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(hydroxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-methoxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-9-hydroxy-3'-methoxy-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione (PubChem CID 161032990) has the molecular formula C115H120Cl4F6N10O25 and a molecular weight of 2298.07 g/mol. Its IUPAC name is 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-2-ethyl-9-hydroxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(hydroxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-methoxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-9-hydroxy-3'-methoxy-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione.

Molecular Properties

• Compound Name: 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-2-ethyl-9-hydroxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(hydroxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-methoxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-9-hydroxy-3'-methoxy-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione
• PubChem CID: 161032990
• Molecular Formula: C115H120Cl4F6N10O25
• Molecular Weight: 2298.07 g/mol
• Exact Mass: 2294.71
• IUPAC Name: 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-2-ethyl-9-hydroxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(hydroxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-methoxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-9-hydroxy-3'-methoxy-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione
• SMILES: CC(C)N1C(=O)c2c(O)c(=O)c(C(=O)CCc3ccc(F)cc3F)cn2CC12CC(O)C2.CCN1C(=O)c2c(O)c(=O)c(C(=O)CCc3cccc(Cl)c3F)cn2CC12CC(CO)C2.CCN1C(=O)c2c(O)c(=O)c(C(=O)CCc3cccc(Cl)c3F)cn2CC12CC(OC)C2.CCOC1CC2(C1)Cn1cc(C(=O)CCc3cccc(Cl)c3F)c(=O)c(O)c1C(=O)N2CC.COC1CC2(C1)Cn1cc(C(=O)CCc3cccc(Cl)c3F)c(=O)c(O)c1C(=O)N2C
• InChI: InChI=1S/C24H26ClFN2O5.2C23H24ClFN2O5.C23H24F2N2O5.C22H22ClFN2O5/c1-3-28-23(32)20-22(31)21(30)16(12-27(20)13-24(28)10-15(11-24)33-4-2)18(29)9-8-14-6-5-7-17(25)19(14)26;1-3-27-22(31)19-21(30)20(29)15(11-26(19)12-23(27)9-14(10-23)32-2)17(28)8-7-13-5-4-6-16(24)18(13)25;1-2-27-22(32)19-21(31)20(30)15(10-26(19)12-23(27)8-13(9-23)11-28)17(29)7-6-14-4-3-5-16(24)18(14)25;1-12(2)27-22(32)19-21(31)20(30)16(10-26(19)11-23(27)8-15(28)9-23)18(29)6-4-13-3-5-14(24)7-17(13)25;1-25-21(30)18-20(29)19(28)14(10-26(18)11-22(25)8-13(9-22)31-2)16(27)7-6-12-4-3-5-15(23)17(12)24/h5-7,12,15,31H,3-4,8-11,13H2,1-2H3;4-6,11,14,30H,3,7-10,12H2,1-2H3;3-5,10,13,28,31H,2,6-9,11-12H2,1H3;3,5,7,10,12,15,28,31H,4,6,8-9,11H2,1-2H3;3-5,10,13,29H,6-9,11H2,1-2H3
• InChIKey: TZWHCELWPKSIFN-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 466.20 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2298.07
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-2-ethyl-9-hydroxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(hydroxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-methoxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-9-hydroxy-3'-methoxy-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione?

The IUPAC name of 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-2-ethyl-9-hydroxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(hydroxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-methoxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-9-hydroxy-3'-methoxy-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione (CID 161032990) is 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-2-ethyl-9-hydroxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(hydroxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-methoxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-9-hydroxy-3'-methoxy-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione.

What is the SMILES notation for 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-2-ethyl-9-hydroxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(hydroxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-methoxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-9-hydroxy-3'-methoxy-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione?

The canonical SMILES for 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-2-ethyl-9-hydroxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(hydroxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-methoxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-9-hydroxy-3'-methoxy-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione is CC(C)N1C(=O)c2c(O)c(=O)c(C(=O)CCc3ccc(F)cc3F)cn2CC12CC(O)C2.CCN1C(=O)c2c(O)c(=O)c(C(=O)CCc3cccc(Cl)c3F)cn2CC12CC(CO)C2.CCN1C(=O)c2c(O)c(=O)c(C(=O)CCc3cccc(Cl)c3F)cn2CC12CC(OC)C2.CCOC1CC2(C1)Cn1cc(C(=O)CCc3cccc(Cl)c3F)c(=O)c(O)c1C(=O)N2CC.COC1CC2(C1)Cn1cc(C(=O)CCc3cccc(Cl)c3F)c(=O)c(O)c1C(=O)N2C.

What is the InChIKey of 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-2-ethyl-9-hydroxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(hydroxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-methoxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-9-hydroxy-3'-methoxy-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione?

The InChIKey is TZWHCELWPKSIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN2O5.2C23H24ClFN2O5.C23H24F2N2O5.C22H22ClFN2O5/c1-3-28-23(32)20-22(31)21(30)16(12-27(20)13-24(28)10-15(11-24)33-4-2)18(29)9-8-14-6-5-7-17(25)19(14)26;1-3-27-22(31)19-21(30)20(29)15(11-26(19)12-23(27)9-14(10-23)32-2)17(28)8-7-13-5-4-6-16(24)18(13)25;1-2-27-22(32)19-21(31)20(30)15(10-26(19)12-23(27)8-13(9-23)11-28)17(29)7-6-14-4-3-5-16(24)18(14)25;1-12(2)27-22(32)19-21(31)20(30)16(10-26(19)11-23(27)8-15(28)9-23)18(29)6-4-13-3-5-14(24)7-17(13)25;1-25-21(30)18-20(29)19(28)14(10-26(18)11-22(25)8-13(9-22)31-2)16(27)7-6-12-4-3-5-15(23)17(12)24/h5-7,12,15,31H,3-4,8-11,13H2,1-2H3;4-6,11,14,30H,3,7-10,12H2,1-2H3;3-5,10,13,28,31H,2,6-9,11-12H2,1H3;3,5,7,10,12,15,28,31H,4,6,8-9,11H2,1-2H3;3-5,10,13,29H,6-9,11H2,1-2H3.

What are the key properties of 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-2-ethyl-9-hydroxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(hydroxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-methoxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-9-hydroxy-3'-methoxy-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione?

7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-2-ethyl-9-hydroxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(hydroxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-methoxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-9-hydroxy-3'-methoxy-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione has a molecular weight of 2298.07 g/mol, XLogP of 14.74, 29 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-2-ethyl-9-hydroxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(hydroxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-methoxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-9-hydroxy-3'-methoxy-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione is sourced from PubChem (CID 161032990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).