9-bromo-2-[5-[(2-ethylsulfinyl-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-bromo-2-[5-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide;N'-[5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;2-[5-[[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C150H144Br4F6N30O26S9 — CID 158254034

IUPAC9-bromo-2-[5-[(2-ethylsulfinyl-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-bromo-2-[5-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide;N'-[5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;2-[5-[[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCCS(=O)c1cc(F)ccc1Cc1cnc(-c2nc3c(Br)cc(N4CCOCC4)cn3c(=O)c2O)s1.CN(C)C(=O)C(=O)N(C)c1cc(F)ccc1Cc1cnc(-c2nc3ccc(N4CCOCC4)cn3c(=O)c2O)s1.CN(C)C(=O)c1cc(F)ccc1Cc1cnc(-c2nc3c(Br)cc(N4CCOCC4)cn3c(=O)c2O)s1.CN(C)S(=O)(=O)c1cc(F)ccc1Cc1cnc(-c2nc3c(Br)cc(N4CCOCC4)cn3c(=O)c2O)s1.CN1CCN(c2cc(F)ccc2Cc2cnc(-c3nc4ccc(N5CCOCC5)cn4c(=O)c3O)s2)CC1.CS(=O)(=O)c1cc(F)ccc1Cc1cnc(-c2nc3c(Br)cc(N4CCOCC4)cn3c(=O)c2O)s1
InChIInChI=1S/C27H27FN6O5S.C27H29FN6O3S.C25H23BrFN5O4S.C24H23BrFN5O5S2.C24H22BrFN4O4S2.C23H20BrFN4O5S2/c1-31(2)26(37)27(38)32(3)20-13-17(28)5-4-16(20)12-19-14-29-24(40-19)22-23(35)25(36)34-15-18(6-7-21(34)30-22)33-8-10-39-11-9-33;1-31-6-8-33(9-7-31)22-15-19(28)3-2-18(22)14-21-16-29-26(38-21)24-25(35)27(36)34-17-20(4-5-23(34)30-24)32-10-12-37-13-11-32;1-30(2)24(34)18-10-15(27)4-3-14(18)9-17-12-28-23(37-17)20-21(33)25(35)32-13-16(11-19(26)22(32)29-20)31-5-7-36-8-6-31;1-29(2)38(34,35)19-10-15(26)4-3-14(19)9-17-12-27-23(37-17)20-21(32)24(33)31-13-16(11-18(25)22(31)28-20)30-5-7-36-8-6-30;1-2-36(33)19-10-15(26)4-3-14(19)9-17-12-27-23(35-17)20-21(31)24(32)30-13-16(11-18(25)22(30)28-20)29-5-7-34-8-6-29;1-36(32,33)18-9-14(25)3-2-13(18)8-16-11-26-22(35-16)19-20(30)23(31)29-12-15(10-17(24)21(29)27-19)28-4-6-34-7-5-28/h4-7,13-15,35H,8-12H2,1-3H3;2-5,15-17,35H,6-14H2,1H3;3-4,10-13,33H,5-9H2,1-2H3;3-4,10-13,32H,5-9H2,1-2H3;3-4,10-13,31H,2,5-9H2,1H3;2-3,9-12,30H,4-8H2,1H3
InChIKeyGHBDMCKJJUBCAP-UHFFFAOYSA-N
MW3505.19 g/mol
LogP18.88
Rot. Bonds32

About 9-bromo-2-[5-[(2-ethylsulfinyl-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-bromo-2-[5-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide;N'-[5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;2-[5-[[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

9-bromo-2-[5-[(2-ethylsulfinyl-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-bromo-2-[5-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide;N'-[5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;2-[5-[[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 158254034) has the molecular formula C150H144Br4F6N30O26S9 and a molecular weight of 3505.19 g/mol. Its IUPAC name is 9-bromo-2-[5-[(2-ethylsulfinyl-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-bromo-2-[5-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide;N'-[5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;2-[5-[[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-bromo-2-[5-[(2-ethylsulfinyl-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-bromo-2-[5-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide;N'-[5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;2-[5-[[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID158254034
Molecular FormulaC150H144Br4F6N30O26S9
Molecular Weight3505.19 g/mol
Exact Mass3498.50
IUPAC Name9-bromo-2-[5-[(2-ethylsulfinyl-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-bromo-2-[5-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide;N'-[5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;2-[5-[[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCCS(=O)c1cc(F)ccc1Cc1cnc(-c2nc3c(Br)cc(N4CCOCC4)cn3c(=O)c2O)s1.CN(C)C(=O)C(=O)N(C)c1cc(F)ccc1Cc1cnc(-c2nc3ccc(N4CCOCC4)cn3c(=O)c2O)s1.CN(C)C(=O)c1cc(F)ccc1Cc1cnc(-c2nc3c(Br)cc(N4CCOCC4)cn3c(=O)c2O)s1.CN(C)S(=O)(=O)c1cc(F)ccc1Cc1cnc(-c2nc3c(Br)cc(N4CCOCC4)cn3c(=O)c2O)s1.CN1CCN(c2cc(F)ccc2Cc2cnc(-c3nc4ccc(N5CCOCC5)cn4c(=O)c3O)s2)CC1.CS(=O)(=O)c1cc(F)ccc1Cc1cnc(-c2nc3c(Br)cc(N4CCOCC4)cn3c(=O)c2O)s1
InChIInChI=1S/C27H27FN6O5S.C27H29FN6O3S.C25H23BrFN5O4S.C24H23BrFN5O5S2.C24H22BrFN4O4S2.C23H20BrFN4O5S2/c1-31(2)26(37)27(38)32(3)20-13-17(28)5-4-16(20)12-19-14-29-24(40-19)22-23(35)25(36)34-15-18(6-7-21(34)30-22)33-8-10-39-11-9-33;1-31-6-8-33(9-7-31)22-15-19(28)3-2-18(22)14-21-16-29-26(38-21)24-25(35)27(36)34-17-20(4-5-23(34)30-24)32-10-12-37-13-11-32;1-30(2)24(34)18-10-15(27)4-3-14(18)9-17-12-28-23(37-17)20-21(33)25(35)32-13-16(11-19(26)22(32)29-20)31-5-7-36-8-6-31;1-29(2)38(34,35)19-10-15(26)4-3-14(19)9-17-12-27-23(37-17)20-21(32)24(33)31-13-16(11-18(25)22(31)28-20)30-5-7-36-8-6-30;1-2-36(33)19-10-15(26)4-3-14(19)9-17-12-27-23(35-17)20-21(31)24(32)30-13-16(11-18(25)22(30)28-20)29-5-7-34-8-6-29;1-36(32,33)18-9-14(25)3-2-13(18)8-16-11-26-22(35-16)19-20(30)23(31)29-12-15(10-17(24)21(29)27-19)28-4-6-34-7-5-28/h4-7,13-15,35H,8-12H2,1-3H3;2-5,15-17,35H,6-14H2,1H3;3-4,10-13,33H,5-9H2,1-2H3;3-4,10-13,32H,5-9H2,1-2H3;3-4,10-13,31H,2,5-9H2,1H3;2-3,9-12,30H,4-8H2,1H3
InChIKeyGHBDMCKJJUBCAP-UHFFFAOYSA-N
XLogP18.88
TPSA635.76 Ų
H-Bond Donors6
H-Bond Acceptors58
Rotatable Bonds32
Heavy Atoms225
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003505.19
LogP ≤ 518.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 9-bromo-2-[5-[(2-ethylsulfinyl-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-bromo-2-[5-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide;N'-[5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;2-[5-[[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-[5-[(2-ethylsulfinyl-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-bromo-2-[5-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide;N'-[5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;2-[5-[[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-bromo-2-[5-[(2-ethylsulfinyl-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-bromo-2-[5-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide;N'-[5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;2-[5-[[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 158254034) is 9-bromo-2-[5-[(2-ethylsulfinyl-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-bromo-2-[5-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide;N'-[5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;2-[5-[[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-bromo-2-[5-[(2-ethylsulfinyl-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-bromo-2-[5-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide;N'-[5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;2-[5-[[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-bromo-2-[5-[(2-ethylsulfinyl-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-bromo-2-[5-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide;N'-[5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;2-[5-[[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is CCS(=O)c1cc(F)ccc1Cc1cnc(-c2nc3c(Br)cc(N4CCOCC4)cn3c(=O)c2O)s1.CN(C)C(=O)C(=O)N(C)c1cc(F)ccc1Cc1cnc(-c2nc3ccc(N4CCOCC4)cn3c(=O)c2O)s1.CN(C)C(=O)c1cc(F)ccc1Cc1cnc(-c2nc3c(Br)cc(N4CCOCC4)cn3c(=O)c2O)s1.CN(C)S(=O)(=O)c1cc(F)ccc1Cc1cnc(-c2nc3c(Br)cc(N4CCOCC4)cn3c(=O)c2O)s1.CN1CCN(c2cc(F)ccc2Cc2cnc(-c3nc4ccc(N5CCOCC5)cn4c(=O)c3O)s2)CC1.CS(=O)(=O)c1cc(F)ccc1Cc1cnc(-c2nc3c(Br)cc(N4CCOCC4)cn3c(=O)c2O)s1.
What is the InChIKey of 9-bromo-2-[5-[(2-ethylsulfinyl-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-bromo-2-[5-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide;N'-[5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;2-[5-[[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GHBDMCKJJUBCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O5S.C27H29FN6O3S.C25H23BrFN5O4S.C24H23BrFN5O5S2.C24H22BrFN4O4S2.C23H20BrFN4O5S2/c1-31(2)26(37)27(38)32(3)20-13-17(28)5-4-16(20)12-19-14-29-24(40-19)22-23(35)25(36)34-15-18(6-7-21(34)30-22)33-8-10-39-11-9-33;1-31-6-8-33(9-7-31)22-15-19(28)3-2-18(22)14-21-16-29-26(38-21)24-25(35)27(36)34-17-20(4-5-23(34)30-24)32-10-12-37-13-11-32;1-30(2)24(34)18-10-15(27)4-3-14(18)9-17-12-28-23(37-17)20-21(33)25(35)32-13-16(11-19(26)22(32)29-20)31-5-7-36-8-6-31;1-29(2)38(34,35)19-10-15(26)4-3-14(19)9-17-12-27-23(37-17)20-21(32)24(33)31-13-16(11-18(25)22(31)28-20)30-5-7-36-8-6-30;1-2-36(33)19-10-15(26)4-3-14(19)9-17-12-27-23(35-17)20-21(31)24(32)30-13-16(11-18(25)22(30)28-20)29-5-7-34-8-6-29;1-36(32,33)18-9-14(25)3-2-13(18)8-16-11-26-22(35-16)19-20(30)23(31)29-12-15(10-17(24)21(29)27-19)28-4-6-34-7-5-28/h4-7,13-15,35H,8-12H2,1-3H3;2-5,15-17,35H,6-14H2,1H3;3-4,10-13,33H,5-9H2,1-2H3;3-4,10-13,32H,5-9H2,1-2H3;3-4,10-13,31H,2,5-9H2,1H3;2-3,9-12,30H,4-8H2,1H3.
What are the key properties of 9-bromo-2-[5-[(2-ethylsulfinyl-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-bromo-2-[5-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide;N'-[5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;2-[5-[[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
9-bromo-2-[5-[(2-ethylsulfinyl-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-bromo-2-[5-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide;N'-[5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;2-[5-[[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 3505.19 g/mol, XLogP of 18.88, 32 rotatable bonds, 6 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-[5-[(2-ethylsulfinyl-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;9-bromo-2-[5-[(4-fluoro-2-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide;2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzenesulfonamide;N'-[5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-N,N,N'-trimethyloxamide;2-[5-[[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 158254034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).