N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;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'-(methoxymethyl)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-(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-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione

C162H171Cl5F9N15O35 — CID 158221770

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;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'-(methoxymethyl)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-(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-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione
SMILESCC(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(COC)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)NCc3cccc(Cl)c3F)c(=O)c(O)c1C(=O)N2C(C)C.COCC1CC12CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3ccc(F)cc3F)cn12
InChIInChI=1S/2C24H26ClFN2O5.C23H25ClFN3O5.2C23H24ClFN2O5.C23H24F2N2O5.C22H22F2N2O5/c1-3-28-23(32)20-22(31)21(30)16(11-27(20)13-24(28)9-14(10-24)12-33-2)18(29)8-7-15-5-4-6-17(25)19(15)26;1-3-28-23(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;1-12(2)28-22(32)18-20(30)19(29)15(10-27(18)11-23(28)7-14(8-23)33-3)21(31)26-9-13-5-4-6-16(24)17(13)25;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;1-25-11-22(8-13(22)10-31-2)26-9-15(19(28)20(29)18(26)21(25)30)17(27)6-4-12-3-5-14(23)7-16(12)24/h4-6,11,14,31H,3,7-10,12-13H2,1-2H3;5-7,12,15,31H,3-4,8-11,13H2,1-2H3;4-6,10,12,14,30H,7-9,11H2,1-3H3,(H,26,31);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;3,5,7,9,13,29H,4,6,8,10-11H2,1-2H3
InChIKeyGDICYRHRQLVQNU-UHFFFAOYSA-N
MW3236.47 g/mol
LogP20.16
Rot. Bonds42

About N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;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'-(methoxymethyl)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-(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-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione

N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;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'-(methoxymethyl)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-(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-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione (PubChem CID 158221770) has the molecular formula C162H171Cl5F9N15O35 and a molecular weight of 3236.47 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;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'-(methoxymethyl)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-(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-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;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'-(methoxymethyl)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-(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-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione
PubChem CID158221770
Molecular FormulaC162H171Cl5F9N15O35
Molecular Weight3236.47 g/mol
Exact Mass3232.04
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;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'-(methoxymethyl)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-(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-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione
SMILESCC(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(COC)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)NCc3cccc(Cl)c3F)c(=O)c(O)c1C(=O)N2C(C)C.COCC1CC12CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3ccc(F)cc3F)cn12
InChIInChI=1S/2C24H26ClFN2O5.C23H25ClFN3O5.2C23H24ClFN2O5.C23H24F2N2O5.C22H22F2N2O5/c1-3-28-23(32)20-22(31)21(30)16(11-27(20)13-24(28)9-14(10-24)12-33-2)18(29)8-7-15-5-4-6-17(25)19(15)26;1-3-28-23(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;1-12(2)28-22(32)18-20(30)19(29)15(10-27(18)11-23(28)7-14(8-23)33-3)21(31)26-9-13-5-4-6-16(24)17(13)25;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;1-25-11-22(8-13(22)10-31-2)26-9-15(19(28)20(29)18(26)21(25)30)17(27)6-4-12-3-5-14(23)7-16(12)24/h4-6,11,14,31H,3,7-10,12-13H2,1-2H3;5-7,12,15,31H,3-4,8-11,13H2,1-2H3;4-6,10,12,14,30H,7-9,11H2,1-3H3,(H,26,31);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;3,5,7,9,13,29H,4,6,8,10-11H2,1-2H3
InChIKeyGDICYRHRQLVQNU-UHFFFAOYSA-N
XLogP20.16
TPSA655.91 Ų
H-Bond Donors10
H-Bond Acceptors42
Rotatable Bonds42
Heavy Atoms226
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003236.47
LogP ≤ 520.16
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1042

Analyze N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;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'-(methoxymethyl)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-(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-(2,4-difluorophenyl)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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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;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'-(methoxymethyl)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-(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-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;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'-(methoxymethyl)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-(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-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione (CID 158221770) is N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;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'-(methoxymethyl)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-(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-(2,4-difluorophenyl)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 N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;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'-(methoxymethyl)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-(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-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;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'-(methoxymethyl)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-(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-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-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(COC)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)NCc3cccc(Cl)c3F)c(=O)c(O)c1C(=O)N2C(C)C.COCC1CC12CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3ccc(F)cc3F)cn12.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;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'-(methoxymethyl)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-(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-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione?
The InChIKey is GDICYRHRQLVQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H26ClFN2O5.C23H25ClFN3O5.2C23H24ClFN2O5.C23H24F2N2O5.C22H22F2N2O5/c1-3-28-23(32)20-22(31)21(30)16(11-27(20)13-24(28)9-14(10-24)12-33-2)18(29)8-7-15-5-4-6-17(25)19(15)26;1-3-28-23(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;1-12(2)28-22(32)18-20(30)19(29)15(10-27(18)11-23(28)7-14(8-23)33-3)21(31)26-9-13-5-4-6-16(24)17(13)25;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;1-25-11-22(8-13(22)10-31-2)26-9-15(19(28)20(29)18(26)21(25)30)17(27)6-4-12-3-5-14(23)7-16(12)24/h4-6,11,14,31H,3,7-10,12-13H2,1-2H3;5-7,12,15,31H,3-4,8-11,13H2,1-2H3;4-6,10,12,14,30H,7-9,11H2,1-3H3,(H,26,31);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;3,5,7,9,13,29H,4,6,8,10-11H2,1-2H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;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'-(methoxymethyl)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-(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-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione?
N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;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'-(methoxymethyl)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-(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-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione has a molecular weight of 3236.47 g/mol, XLogP of 20.16, 42 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;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'-(methoxymethyl)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-(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-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione is sourced from PubChem (CID 158221770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).