7-[3-(3-chloro-4-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-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]-2'-(ethoxymethyl)-9-hydroxy-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-(2-oxopyrrolidin-1-yl)phenyl]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

C146H157Cl6F6N13O36 — CID 161353414

IUPAC7-[3-(3-chloro-4-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-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]-2'-(ethoxymethyl)-9-hydroxy-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-(2-oxopyrrolidin-1-yl)phenyl]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
SMILESCCOCC1CC12CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3ccc(OC)c(Cl)c3F)cn12.CCOc1cc(Cl)c(F)c(CCC(=O)c2cn3c(c(O)c2=O)C(=O)N(C)CC32CC2COC)c1.CCOc1ccc(CCC(=O)c2cn3c(c(O)c2=O)C(=O)N(C)CC32CC2COC)c(F)c1Cl.COCC1CC12CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3cc(N4CCCC4=O)cc(Cl)c3F)cn12.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)CCc3ccc(OC)c(Cl)c3F)cn12
InChIInChI=1S/C26H27ClFN3O6.C25H28ClFN2O6.3C24H26ClFN2O6.C23H24ClFN2O6/c1-29-13-26(10-15(26)12-37-2)31-11-17(23(34)24(35)22(31)25(29)36)19(32)6-5-14-8-16(9-18(27)21(14)28)30-7-3-4-20(30)33;1-13(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;1-4-34-11-14-9-24(14)12-27(2)23(32)20-22(31)21(30)15(10-28(20)24)16(29)7-5-13-6-8-17(33-3)18(25)19(13)26;1-4-34-17-8-6-13(19(26)18(17)25)5-7-16(29)15-10-28-20(22(31)21(15)30)23(32)27(2)12-24(28)9-14(24)11-33-3;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/h8-9,11,15,35H,3-7,10,12-13H2,1-2H3;7-8,10,13,15,32H,5-6,9,11-12H2,1-4H3;2*6,8,10,14,31H,4-5,7,9,11-12H2,1-3H3;7-8,10,14,31H,4-6,9,11-12H2,1-3H3;5,7,9,13,30H,4,6,8,10-11H2,1-3H3
InChIKeyVOFKIRRREOZRFD-UHFFFAOYSA-N
MW2996.62 g/mol
LogP17.77
Rot. Bonds46

About 7-[3-(3-chloro-4-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-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]-2'-(ethoxymethyl)-9-hydroxy-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-(2-oxopyrrolidin-1-yl)phenyl]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-4-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-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]-2'-(ethoxymethyl)-9-hydroxy-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-(2-oxopyrrolidin-1-yl)phenyl]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 161353414) has the molecular formula C146H157Cl6F6N13O36 and a molecular weight of 2996.62 g/mol. Its IUPAC name is 7-[3-(3-chloro-4-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-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]-2'-(ethoxymethyl)-9-hydroxy-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-(2-oxopyrrolidin-1-yl)phenyl]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 Name7-[3-(3-chloro-4-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-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]-2'-(ethoxymethyl)-9-hydroxy-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-(2-oxopyrrolidin-1-yl)phenyl]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 CID161353414
Molecular FormulaC146H157Cl6F6N13O36
Molecular Weight2996.62 g/mol
Exact Mass2991.89
IUPAC Name7-[3-(3-chloro-4-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-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]-2'-(ethoxymethyl)-9-hydroxy-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-(2-oxopyrrolidin-1-yl)phenyl]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
SMILESCCOCC1CC12CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3ccc(OC)c(Cl)c3F)cn12.CCOc1cc(Cl)c(F)c(CCC(=O)c2cn3c(c(O)c2=O)C(=O)N(C)CC32CC2COC)c1.CCOc1ccc(CCC(=O)c2cn3c(c(O)c2=O)C(=O)N(C)CC32CC2COC)c(F)c1Cl.COCC1CC12CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3cc(N4CCCC4=O)cc(Cl)c3F)cn12.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)CCc3ccc(OC)c(Cl)c3F)cn12
InChIInChI=1S/C26H27ClFN3O6.C25H28ClFN2O6.3C24H26ClFN2O6.C23H24ClFN2O6/c1-29-13-26(10-15(26)12-37-2)31-11-17(23(34)24(35)22(31)25(29)36)19(32)6-5-14-8-16(9-18(27)21(14)28)30-7-3-4-20(30)33;1-13(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;1-4-34-11-14-9-24(14)12-27(2)23(32)20-22(31)21(30)15(10-28(20)24)16(29)7-5-13-6-8-17(33-3)18(25)19(13)26;1-4-34-17-8-6-13(19(26)18(17)25)5-7-16(29)15-10-28-20(22(31)21(15)30)23(32)27(2)12-24(28)9-14(24)11-33-3;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/h8-9,11,15,35H,3-7,10,12-13H2,1-2H3;7-8,10,13,15,32H,5-6,9,11-12H2,1-4H3;2*6,8,10,14,31H,4-5,7,9,11-12H2,1-3H3;7-8,10,14,31H,4-6,9,11-12H2,1-3H3;5,7,9,13,30H,4,6,8,10-11H2,1-3H3
InChIKeyVOFKIRRREOZRFD-UHFFFAOYSA-N
XLogP17.77
TPSA599.50 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds46
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002996.62
LogP ≤ 517.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

Analyze 7-[3-(3-chloro-4-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-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]-2'-(ethoxymethyl)-9-hydroxy-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-(2-oxopyrrolidin-1-yl)phenyl]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 with MolForge

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Related Compounds

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
(2'S,4S)-7-[3-[3-chloro-2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione
CID 146802915
7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione
CID 148779790
7-[3-(2,4-difluorophenyl)propanoyl]-2-ethyl-9-hydroxy-N,N-dimethyl-1,8-dioxospiro[3H-pyrido[1,2-a]pyrazine-4,2'-cyclopropane]-1'-carboxamide;7-[3-(2,4-difluorophenyl)propanoyl]-2-ethyl-9-hydroxy-1,8-dioxospiro[3H-pyrido[1,2-a]pyrazine-4,2'-cyclopropane]-1'-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-2-ethyl-9-hydroxy-N-methyl-1,8-dioxospiro[3H-pyrido[1,2-a]pyrazine-4,2'-cyclopropane]-1'-carboxamide;7-[3-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(hydroxymethyl)-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione
CID 158927382
(2'S,4S)-N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-2'-(hydroxymethyl)-2-methyl-1,8-dioxospiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-7-carboxamide
CID 90312448
7-[3-(2,4-difluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione
CID 157162114
6-[[3-chloro-2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
CID 24872331
6-[[3-chloro-2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-(3-hydroxy-2,2-dimethylpropyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid
CID 67381715
4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 7780107
[3-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-ethoxyphenyl)propanoate
CID 78818550
3-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 51172435
[7-[3-(2,4-difluorophenyl)propanoyl]-9-hydroxy-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1'-yl] methanesulfonate
CID 158507453

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-chloro-4-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-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]-2'-(ethoxymethyl)-9-hydroxy-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-(2-oxopyrrolidin-1-yl)phenyl]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-4-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-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]-2'-(ethoxymethyl)-9-hydroxy-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-(2-oxopyrrolidin-1-yl)phenyl]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 161353414) is 7-[3-(3-chloro-4-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-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]-2'-(ethoxymethyl)-9-hydroxy-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-(2-oxopyrrolidin-1-yl)phenyl]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-4-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-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]-2'-(ethoxymethyl)-9-hydroxy-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-(2-oxopyrrolidin-1-yl)phenyl]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-4-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-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]-2'-(ethoxymethyl)-9-hydroxy-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-(2-oxopyrrolidin-1-yl)phenyl]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 CCOCC1CC12CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3ccc(OC)c(Cl)c3F)cn12.CCOc1cc(Cl)c(F)c(CCC(=O)c2cn3c(c(O)c2=O)C(=O)N(C)CC32CC2COC)c1.CCOc1ccc(CCC(=O)c2cn3c(c(O)c2=O)C(=O)N(C)CC32CC2COC)c(F)c1Cl.COCC1CC12CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3cc(N4CCCC4=O)cc(Cl)c3F)cn12.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)CCc3ccc(OC)c(Cl)c3F)cn12.
What is the InChIKey of 7-[3-(3-chloro-4-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-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]-2'-(ethoxymethyl)-9-hydroxy-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-(2-oxopyrrolidin-1-yl)phenyl]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 VOFKIRRREOZRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN3O6.C25H28ClFN2O6.3C24H26ClFN2O6.C23H24ClFN2O6/c1-29-13-26(10-15(26)12-37-2)31-11-17(23(34)24(35)22(31)25(29)36)19(32)6-5-14-8-16(9-18(27)21(14)28)30-7-3-4-20(30)33;1-13(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;1-4-34-11-14-9-24(14)12-27(2)23(32)20-22(31)21(30)15(10-28(20)24)16(29)7-5-13-6-8-17(33-3)18(25)19(13)26;1-4-34-17-8-6-13(19(26)18(17)25)5-7-16(29)15-10-28-20(22(31)21(15)30)23(32)27(2)12-24(28)9-14(24)11-33-3;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/h8-9,11,15,35H,3-7,10,12-13H2,1-2H3;7-8,10,13,15,32H,5-6,9,11-12H2,1-4H3;2*6,8,10,14,31H,4-5,7,9,11-12H2,1-3H3;7-8,10,14,31H,4-6,9,11-12H2,1-3H3;5,7,9,13,30H,4,6,8,10-11H2,1-3H3.
What are the key properties of 7-[3-(3-chloro-4-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-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]-2'-(ethoxymethyl)-9-hydroxy-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-(2-oxopyrrolidin-1-yl)phenyl]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-4-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-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]-2'-(ethoxymethyl)-9-hydroxy-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-(2-oxopyrrolidin-1-yl)phenyl]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 2996.62 g/mol, XLogP of 17.77, 46 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-chloro-4-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-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]-2'-(ethoxymethyl)-9-hydroxy-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-(2-oxopyrrolidin-1-yl)phenyl]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 161353414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).