1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one

C154H174F6N30O8S6 — CID 160902476

IUPAC1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one
SMILESCCCCC(CC(=O)c1cnc(N2CCc3c(cnn3C)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCc3oncc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3c(C)nnc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3c(cc(C(F)(F)F)cc3=O)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3c(nnc3C(F)(F)F)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3ccnc3C2)s1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C28H29F3N4O2S.C26H31N5OS.C25H27F3N6OS.C25H30N6OS.C25H29N5OS.C25H28N4O2S/c1-2-3-6-18(11-19-15-32-23-8-5-4-7-22(19)23)12-24(36)25-16-33-27(38-25)34-9-10-35-21(17-34)13-20(14-26(35)37)28(29,30)31;1-3-4-7-18(12-19-14-27-22-9-6-5-8-21(19)22)13-24(32)25-16-28-26(33-25)31-11-10-23-20(17-31)15-29-30(23)2;1-2-3-6-16(11-17-13-29-19-8-5-4-7-18(17)19)12-20(35)21-14-30-24(36-21)33-9-10-34-22(15-33)31-32-23(34)25(26,27)28;1-3-4-7-18(12-19-14-26-21-9-6-5-8-20(19)21)13-22(32)23-15-27-25(33-23)30-10-11-31-17(2)28-29-24(31)16-30;1-2-3-6-18(13-19-15-27-21-8-5-4-7-20(19)21)14-22(31)23-16-28-25(32-23)30-12-11-29-10-9-26-24(29)17-30;1-2-3-6-17(11-18-13-26-21-8-5-4-7-20(18)21)12-22(30)24-15-27-25(32-24)29-10-9-23-19(16-29)14-28-31-23/h4-5,7-8,13-16,18,32H,2-3,6,9-12,17H2,1H3;5-6,8-9,14-16,18,27H,3-4,7,10-13,17H2,1-2H3;4-5,7-8,13-14,16,29H,2-3,6,9-12,15H2,1H3;5-6,8-9,14-15,18,26H,3-4,7,10-13,16H2,1-2H3;4-5,7-10,15-16,18,27H,2-3,6,11-14,17H2,1H3;4-5,7-8,13-15,17,26H,2-3,6,9-12,16H2,1H3
InChIKeySPRPVFMLPXOUME-UHFFFAOYSA-N
MW2879.68 g/mol
LogP34.29
Rot. Bonds54

About 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one

1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one (PubChem CID 160902476) has the molecular formula C154H174F6N30O8S6 and a molecular weight of 2879.68 g/mol. Its IUPAC name is 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one.

Molecular Properties

Compound Name1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one
PubChem CID160902476
Molecular FormulaC154H174F6N30O8S6
Molecular Weight2879.68 g/mol
Exact Mass2877.24
IUPAC Name1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one
SMILESCCCCC(CC(=O)c1cnc(N2CCc3c(cnn3C)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCc3oncc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3c(C)nnc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3c(cc(C(F)(F)F)cc3=O)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3c(nnc3C(F)(F)F)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3ccnc3C2)s1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C28H29F3N4O2S.C26H31N5OS.C25H27F3N6OS.C25H30N6OS.C25H29N5OS.C25H28N4O2S/c1-2-3-6-18(11-19-15-32-23-8-5-4-7-22(19)23)12-24(36)25-16-33-27(38-25)34-9-10-35-21(17-34)13-20(14-26(35)37)28(29,30)31;1-3-4-7-18(12-19-14-27-22-9-6-5-8-21(19)22)13-24(32)25-16-28-26(33-25)31-11-10-23-20(17-31)15-29-30(23)2;1-2-3-6-16(11-17-13-29-19-8-5-4-7-18(17)19)12-20(35)21-14-30-24(36-21)33-9-10-34-22(15-33)31-32-23(34)25(26,27)28;1-3-4-7-18(12-19-14-26-21-9-6-5-8-20(19)21)13-22(32)23-15-27-25(33-23)30-10-11-31-17(2)28-29-24(31)16-30;1-2-3-6-18(13-19-15-27-21-8-5-4-7-20(19)21)14-22(31)23-16-28-25(32-23)30-12-11-29-10-9-26-24(29)17-30;1-2-3-6-17(11-18-13-26-21-8-5-4-7-20(18)21)12-22(30)24-15-27-25(32-24)29-10-9-23-19(16-29)14-28-31-23/h4-5,7-8,13-16,18,32H,2-3,6,9-12,17H2,1H3;5-6,8-9,14-16,18,27H,3-4,7,10-13,17H2,1-2H3;4-5,7-8,13-14,16,29H,2-3,6,9-12,15H2,1H3;5-6,8-9,14-15,18,26H,3-4,7,10-13,16H2,1-2H3;4-5,7-10,15-16,18,27H,2-3,6,11-14,17H2,1H3;4-5,7-8,13-15,17,26H,2-3,6,9-12,16H2,1H3
InChIKeySPRPVFMLPXOUME-UHFFFAOYSA-N
XLogP34.29
TPSA439.03 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds54
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002879.68
LogP ≤ 534.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Analyze 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one with MolForge

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 157070097
N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 157104122
CID 157242465
CID 157242465
1-(2-bromo-1,3-thiazol-5-yl)-3-(1H-indol-3-ylmethyl)heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one);3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 157330070
1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one
CID 157491500
N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,2,4,6-tetramethylpyridine-3-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide
CID 157702363
N-[4-(2-amino-2-iminoethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]benzamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-isoquinolin-4-ylethynyl)-4-methylbenzamide;3-(2-cinnolin-4-ylethynyl)-N-[3-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methylbenzamide;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[2-(1,6-naphthyridin-8-yl)ethynyl]-1,3-thiazole-5-carboxamide
CID 158483029
N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N,2-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide;methane;N-methylisoquinoline-1-carboxamide;1-(5-methyl-2-phenyltriazol-4-yl)ethanone;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 158863667
3-[(5,6-difluoro-1H-indol-3-yl)methyl]-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-[(6-fluoro-1H-indol-3-yl)methyl]-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)heptan-1-one;7,7,7-trifluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one
CID 161272316
N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-tert-butylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-1,2-oxazole-5-carboxamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 161461881
3-[(5,6-difluoro-1H-indol-3-yl)methyl]-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-[(5-fluoro-1H-indol-3-yl)methyl]-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-[(6-fluoro-1H-indol-3-yl)methyl]-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)heptan-1-one;7,7,7-trifluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one
CID 161942807
[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(1,3-thiazol-2-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 162287462

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one?
The IUPAC name of 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one (CID 160902476) is 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one.
What is the SMILES notation for 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one?
The canonical SMILES for 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one is CCCCC(CC(=O)c1cnc(N2CCc3c(cnn3C)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCc3oncc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3c(C)nnc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3c(cc(C(F)(F)F)cc3=O)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3c(nnc3C(F)(F)F)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3ccnc3C2)s1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one?
The InChIKey is SPRPVFMLPXOUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O2S.C26H31N5OS.C25H27F3N6OS.C25H30N6OS.C25H29N5OS.C25H28N4O2S/c1-2-3-6-18(11-19-15-32-23-8-5-4-7-22(19)23)12-24(36)25-16-33-27(38-25)34-9-10-35-21(17-34)13-20(14-26(35)37)28(29,30)31;1-3-4-7-18(12-19-14-27-22-9-6-5-8-21(19)22)13-24(32)25-16-28-26(33-25)31-11-10-23-20(17-31)15-29-30(23)2;1-2-3-6-16(11-17-13-29-19-8-5-4-7-18(17)19)12-20(35)21-14-30-24(36-21)33-9-10-34-22(15-33)31-32-23(34)25(26,27)28;1-3-4-7-18(12-19-14-26-21-9-6-5-8-20(19)21)13-22(32)23-15-27-25(33-23)30-10-11-31-17(2)28-29-24(31)16-30;1-2-3-6-18(13-19-15-27-21-8-5-4-7-20(19)21)14-22(31)23-16-28-25(32-23)30-12-11-29-10-9-26-24(29)17-30;1-2-3-6-17(11-18-13-26-21-8-5-4-7-20(18)21)12-22(30)24-15-27-25(32-24)29-10-9-23-19(16-29)14-28-31-23/h4-5,7-8,13-16,18,32H,2-3,6,9-12,17H2,1H3;5-6,8-9,14-16,18,27H,3-4,7,10-13,17H2,1-2H3;4-5,7-8,13-14,16,29H,2-3,6,9-12,15H2,1H3;5-6,8-9,14-15,18,26H,3-4,7,10-13,16H2,1-2H3;4-5,7-10,15-16,18,27H,2-3,6,11-14,17H2,1H3;4-5,7-8,13-15,17,26H,2-3,6,9-12,16H2,1H3.
What are the key properties of 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one?
1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one has a molecular weight of 2879.68 g/mol, XLogP of 34.29, 54 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;2-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-5-yl]heptan-1-one is sourced from PubChem (CID 160902476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).