2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C158H163F6N33O25S9 — CID 157396474

IUPAC2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCN(C)Cc1cc(F)ccc1Cc1cnc(-c2nc3ccc(N4CCOCC4)cn3c(=O)c2O)s1.CN1CCN(C(=O)c2cc(F)ccc2Cc2cnc(-c3nc4ccc(N5CCOCC5)cn4c(=O)c3O)s2)CC1.CN1CCN(Cc2cc(F)ccc2Cc2cnc(-c3nc4ccc(N5CCOCC5)cn4c(=O)c3O)s2)CC1.CN1CCN(Cc2cc(F)ccc2Cc2cnc(-c3nc4ccc(N5CCOCC5)cn4c(=O)c3O)s2)S1(=O)=O.O=c1c(O)c(-c2ncc(Cc3ccc(F)cc3CN3CCCS3(=O)=O)s2)nc2ccc(N3CCOCC3)cn12.O=c1c(O)c(-c2ncc(Cc3ccc(F)cc3N3CCCS3(=O)=O)s2)nc2ccc(N3CCOCC3)cn12
InChIInChI=1S/C28H29FN6O4S.C28H31FN6O3S.C26H27FN6O5S2.C26H26FN5O5S2.C25H24FN5O5S2.C25H26FN5O3S/c1-32-6-8-34(9-7-32)27(37)22-15-19(29)3-2-18(22)14-21-16-30-26(40-21)24-25(36)28(38)35-17-20(4-5-23(35)31-24)33-10-12-39-13-11-33;1-32-6-8-33(9-7-32)17-20-14-21(29)3-2-19(20)15-23-16-30-27(39-23)25-26(36)28(37)35-18-22(4-5-24(35)31-25)34-10-12-38-13-11-34;1-30-6-7-32(40(30,36)37)15-18-12-19(27)3-2-17(18)13-21-14-28-25(39-21)23-24(34)26(35)33-16-20(4-5-22(33)29-23)31-8-10-38-11-9-31;27-19-3-2-17(18(12-19)15-31-6-1-11-39(31,35)36)13-21-14-28-25(38-21)23-24(33)26(34)32-16-20(4-5-22(32)29-23)30-7-9-37-10-8-30;26-17-3-2-16(20(13-17)31-6-1-11-38(31,34)35)12-19-14-27-24(37-19)22-23(32)25(33)30-15-18(4-5-21(30)28-22)29-7-9-36-10-8-29;1-29(2)14-17-11-18(26)4-3-16(17)12-20-13-27-24(35-20)22-23(32)25(33)31-15-19(5-6-21(31)28-22)30-7-9-34-10-8-30/h2-5,15-17,36H,6-14H2,1H3;2-5,14,16,18,36H,6-13,15,17H2,1H3;2-5,12,14,16,34H,6-11,13,15H2,1H3;2-5,12,14,16,33H,1,6-11,13,15H2;2-5,13-15,32H,1,6-12H2;3-6,11,13,15,32H,7-10,12,14H2,1-2H3
InChIKeyBMPYZBKVAOFSKR-UHFFFAOYSA-N
MW3326.84 g/mol
LogP15.80
Rot. Bonds34

About 2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 157396474) has the molecular formula C158H163F6N33O25S9 and a molecular weight of 3326.84 g/mol. Its IUPAC name is 2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID157396474
Molecular FormulaC158H163F6N33O25S9
Molecular Weight3326.84 g/mol
Exact Mass3323.99
IUPAC Name2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCN(C)Cc1cc(F)ccc1Cc1cnc(-c2nc3ccc(N4CCOCC4)cn3c(=O)c2O)s1.CN1CCN(C(=O)c2cc(F)ccc2Cc2cnc(-c3nc4ccc(N5CCOCC5)cn4c(=O)c3O)s2)CC1.CN1CCN(Cc2cc(F)ccc2Cc2cnc(-c3nc4ccc(N5CCOCC5)cn4c(=O)c3O)s2)CC1.CN1CCN(Cc2cc(F)ccc2Cc2cnc(-c3nc4ccc(N5CCOCC5)cn4c(=O)c3O)s2)S1(=O)=O.O=c1c(O)c(-c2ncc(Cc3ccc(F)cc3CN3CCCS3(=O)=O)s2)nc2ccc(N3CCOCC3)cn12.O=c1c(O)c(-c2ncc(Cc3ccc(F)cc3N3CCCS3(=O)=O)s2)nc2ccc(N3CCOCC3)cn12
InChIInChI=1S/C28H29FN6O4S.C28H31FN6O3S.C26H27FN6O5S2.C26H26FN5O5S2.C25H24FN5O5S2.C25H26FN5O3S/c1-32-6-8-34(9-7-32)27(37)22-15-19(29)3-2-18(22)14-21-16-30-26(40-21)24-25(36)28(38)35-17-20(4-5-23(35)31-24)33-10-12-39-13-11-33;1-32-6-8-33(9-7-32)17-20-14-21(29)3-2-19(20)15-23-16-30-27(39-23)25-26(36)28(37)35-18-22(4-5-24(35)31-25)34-10-12-38-13-11-34;1-30-6-7-32(40(30,36)37)15-18-12-19(27)3-2-17(18)13-21-14-28-25(39-21)23-24(34)26(35)33-16-20(4-5-22(33)29-23)31-8-10-38-11-9-31;27-19-3-2-17(18(12-19)15-31-6-1-11-39(31,35)36)13-21-14-28-25(38-21)23-24(33)26(34)32-16-20(4-5-22(32)29-23)30-7-9-37-10-8-30;26-17-3-2-16(20(13-17)31-6-1-11-38(31,34)35)12-19-14-27-24(37-19)22-23(32)25(33)30-15-18(4-5-21(30)28-22)29-7-9-36-10-8-29;1-29(2)14-17-11-18(26)4-3-16(17)12-20-13-27-24(35-20)22-23(32)25(33)31-15-19(5-6-21(31)28-22)30-7-9-34-10-8-30/h2-5,15-17,36H,6-14H2,1H3;2-5,14,16,18,36H,6-13,15,17H2,1H3;2-5,12,14,16,34H,6-11,13,15H2,1H3;2-5,12,14,16,33H,1,6-11,13,15H2;2-5,13-15,32H,1,6-12H2;3-6,11,13,15,32H,7-10,12,14H2,1-2H3
InChIKeyBMPYZBKVAOFSKR-UHFFFAOYSA-N
XLogP15.80
TPSA628.41 Ų
H-Bond Donors6
H-Bond Acceptors59
Rotatable Bonds34
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003326.84
LogP ≤ 515.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1059

Analyze 2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]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 2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 157396474) is 2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]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 2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is CN(C)Cc1cc(F)ccc1Cc1cnc(-c2nc3ccc(N4CCOCC4)cn3c(=O)c2O)s1.CN1CCN(C(=O)c2cc(F)ccc2Cc2cnc(-c3nc4ccc(N5CCOCC5)cn4c(=O)c3O)s2)CC1.CN1CCN(Cc2cc(F)ccc2Cc2cnc(-c3nc4ccc(N5CCOCC5)cn4c(=O)c3O)s2)CC1.CN1CCN(Cc2cc(F)ccc2Cc2cnc(-c3nc4ccc(N5CCOCC5)cn4c(=O)c3O)s2)S1(=O)=O.O=c1c(O)c(-c2ncc(Cc3ccc(F)cc3CN3CCCS3(=O)=O)s2)nc2ccc(N3CCOCC3)cn12.O=c1c(O)c(-c2ncc(Cc3ccc(F)cc3N3CCCS3(=O)=O)s2)nc2ccc(N3CCOCC3)cn12.
What is the InChIKey of 2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BMPYZBKVAOFSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O4S.C28H31FN6O3S.C26H27FN6O5S2.C26H26FN5O5S2.C25H24FN5O5S2.C25H26FN5O3S/c1-32-6-8-34(9-7-32)27(37)22-15-19(29)3-2-18(22)14-21-16-30-26(40-21)24-25(36)28(38)35-17-20(4-5-23(35)31-24)33-10-12-39-13-11-33;1-32-6-8-33(9-7-32)17-20-14-21(29)3-2-19(20)15-23-16-30-27(39-23)25-26(36)28(37)35-18-22(4-5-24(35)31-25)34-10-12-38-13-11-34;1-30-6-7-32(40(30,36)37)15-18-12-19(27)3-2-17(18)13-21-14-28-25(39-21)23-24(34)26(35)33-16-20(4-5-22(33)29-23)31-8-10-38-11-9-31;27-19-3-2-17(18(12-19)15-31-6-1-11-39(31,35)36)13-21-14-28-25(38-21)23-24(33)26(34)32-16-20(4-5-22(32)29-23)30-7-9-37-10-8-30;26-17-3-2-16(20(13-17)31-6-1-11-38(31,34)35)12-19-14-27-24(37-19)22-23(32)25(33)30-15-18(4-5-21(30)28-22)29-7-9-36-10-8-29;1-29(2)14-17-11-18(26)4-3-16(17)12-20-13-27-24(35-20)22-23(32)25(33)31-15-19(5-6-21(31)28-22)30-7-9-34-10-8-30/h2-5,15-17,36H,6-14H2,1H3;2-5,14,16,18,36H,6-13,15,17H2,1H3;2-5,12,14,16,34H,6-11,13,15H2,1H3;2-5,12,14,16,33H,1,6-11,13,15H2;2-5,13-15,32H,1,6-12H2;3-6,11,13,15,32H,7-10,12,14H2,1-2H3.
What are the key properties of 2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 3326.84 g/mol, XLogP of 15.80, 34 rotatable bonds, 6 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorophenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-[5-[[4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-thiazol-2-yl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157396474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).