7-[3-(3-chloro-5-ethoxy-2-fluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-4-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-propan-2-yloxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione

C95H102Cl4F4N8O24 — CID 159516142

About 7-[3-(3-chloro-5-ethoxy-2-fluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-4-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-propan-2-yloxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione

7-[3-(3-chloro-5-ethoxy-2-fluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-4-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-propan-2-yloxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione (PubChem CID 159516142) has the molecular formula C95H102Cl4F4N8O24 and a molecular weight of 1957.70 g/mol. Its IUPAC name is 7-[3-(3-chloro-5-ethoxy-2-fluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-4-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-propan-2-yloxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione.

Molecular Properties

• Compound Name: 7-[3-(3-chloro-5-ethoxy-2-fluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-4-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-propan-2-yloxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione
• PubChem CID: 159516142
• Molecular Formula: C95H102Cl4F4N8O24
• Molecular Weight: 1957.70 g/mol
• Exact Mass: 1954.57
• IUPAC Name: 7-[3-(3-chloro-5-ethoxy-2-fluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-4-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-propan-2-yloxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione
• SMILES: CCOc1cc(Cl)c(F)c(CCC(=O)c2cn3c(c(O)c2=O)C(=O)N(C)CC32CC2COC)c1.COCC1CC12CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3cc(OC(C)C)cc(Cl)c3F)cn12.COCC1CC12CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3cc(OC)cc(Cl)c3F)cn12.COCC1CC12CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3ccc(OC)c(Cl)c3F)cn12
• InChI: InChI=1S/C25H28ClFN2O6.C24H26ClFN2O6.2C23H24ClFN2O6/c1-13(2)35-16-7-14(20(27)18(26)8-16)5-6-19(30)17-10-29-21(23(32)22(17)31)24(33)28(3)12-25(29)9-15(25)11-34-4;1-4-34-15-7-13(19(26)17(25)8-15)5-6-18(29)16-10-28-20(22(31)21(16)30)23(32)27(2)12-24(28)9-14(24)11-33-3;1-26-11-23(8-13(23)10-32-2)27-9-14(20(29)21(30)19(27)22(26)31)15(28)6-4-12-5-7-16(33-3)17(24)18(12)25;1-26-11-23(8-13(23)10-32-2)27-9-15(20(29)21(30)19(27)22(26)31)17(28)5-4-12-6-14(33-3)7-16(24)18(12)25/h7-8,10,13,15,32H,5-6,9,11-12H2,1-4H3;7-8,10,14,31H,4-6,9,11-12H2,1-3H3;5,7,9,13,30H,4,6,8,10-11H2,1-3H3;6-7,9,13,30H,4-5,8,10-11H2,1-3H3
• InChIKey: MBFIYMORXRITED-UHFFFAOYSA-N
• XLogP: 11.64
• TPSA: 392.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1957.70
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-chloro-5-ethoxy-2-fluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-4-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-propan-2-yloxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione?

The IUPAC name of 7-[3-(3-chloro-5-ethoxy-2-fluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-4-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-propan-2-yloxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione (CID 159516142) is 7-[3-(3-chloro-5-ethoxy-2-fluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-4-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-propan-2-yloxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione.

What is the SMILES notation for 7-[3-(3-chloro-5-ethoxy-2-fluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-4-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-propan-2-yloxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione?

The canonical SMILES for 7-[3-(3-chloro-5-ethoxy-2-fluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-4-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-propan-2-yloxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione is CCOc1cc(Cl)c(F)c(CCC(=O)c2cn3c(c(O)c2=O)C(=O)N(C)CC32CC2COC)c1.COCC1CC12CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3cc(OC(C)C)cc(Cl)c3F)cn12.COCC1CC12CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3cc(OC)cc(Cl)c3F)cn12.COCC1CC12CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3ccc(OC)c(Cl)c3F)cn12.

What is the InChIKey of 7-[3-(3-chloro-5-ethoxy-2-fluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-4-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-propan-2-yloxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione?

The InChIKey is MBFIYMORXRITED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClFN2O6.C24H26ClFN2O6.2C23H24ClFN2O6/c1-13(2)35-16-7-14(20(27)18(26)8-16)5-6-19(30)17-10-29-21(23(32)22(17)31)24(33)28(3)12-25(29)9-15(25)11-34-4;1-4-34-15-7-13(19(26)17(25)8-15)5-6-18(29)16-10-28-20(22(31)21(16)30)23(32)27(2)12-24(28)9-14(24)11-33-3;1-26-11-23(8-13(23)10-32-2)27-9-14(20(29)21(30)19(27)22(26)31)15(28)6-4-12-5-7-16(33-3)17(24)18(12)25;1-26-11-23(8-13(23)10-32-2)27-9-15(20(29)21(30)19(27)22(26)31)17(28)5-4-12-6-14(33-3)7-16(24)18(12)25/h7-8,10,13,15,32H,5-6,9,11-12H2,1-4H3;7-8,10,14,31H,4-6,9,11-12H2,1-3H3;5,7,9,13,30H,4,6,8,10-11H2,1-3H3;6-7,9,13,30H,4-5,8,10-11H2,1-3H3.

What are the key properties of 7-[3-(3-chloro-5-ethoxy-2-fluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-4-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-propan-2-yloxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione?

7-[3-(3-chloro-5-ethoxy-2-fluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-4-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-propan-2-yloxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione has a molecular weight of 1957.70 g/mol, XLogP of 11.64, 30 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(3-chloro-5-ethoxy-2-fluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-4-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-methoxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(3-chloro-2-fluoro-5-propan-2-yloxyphenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione is sourced from PubChem (CID 159516142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).