1-[2-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)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-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one

C153H179N27O6S6 — CID 158001003

IUPAC1-[2-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)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-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one
SMILESC=CC1=C(N)CN(c2ncc(C(=O)CC(CCCC)Cc3c[nH]c4ccccc34)s2)C1.CCCCC(CC(=O)c1cnc(N2CCC3=C(C=NC3)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3ccnc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3nc(C)cc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3nccc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2Cc3ccn(C)c3C2)s1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C26H31N5OS.2C26H30N4OS.2C25H29N5OS.C25H30N4OS/c1-3-4-7-19(13-20-15-27-23-9-6-5-8-22(20)23)14-24(32)25-16-28-26(33-25)30-10-11-31-21(17-30)12-18(2)29-31;1-3-4-7-18(12-20-14-27-22-9-6-5-8-21(20)22)13-24(31)25-15-28-26(32-25)30-16-19-10-11-29(2)23(19)17-30;1-2-3-6-18(11-20-15-28-23-8-5-4-7-22(20)23)12-24(31)25-16-29-26(32-25)30-10-9-19-13-27-14-21(19)17-30;1-2-3-6-18(13-19-15-26-22-8-5-4-7-21(19)22)14-23(31)24-16-27-25(32-24)29-11-12-30-20(17-29)9-10-28-30;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;1-3-5-8-17(11-19-13-27-22-10-7-6-9-20(19)22)12-23(30)24-14-28-25(31-24)29-15-18(4-2)21(26)16-29/h5-6,8-9,12,15-16,19,27H,3-4,7,10-11,13-14,17H2,1-2H3;5-6,8-11,14-15,18,27H,3-4,7,12-13,16-17H2,1-2H3;4-5,7-8,14-16,18,28H,2-3,6,9-13,17H2,1H3;4-5,7-10,15-16,18,26H,2-3,6,11-14,17H2,1H3;4-5,7-10,15-16,18,27H,2-3,6,11-14,17H2,1H3;4,6-7,9-10,13-14,17,27H,2-3,5,8,11-12,15-16,26H2,1H3
InChIKeyFDSRFDPUWMEOBB-UHFFFAOYSA-N
MW2684.70 g/mol
LogP34.10
Rot. Bonds55

About 1-[2-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)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-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one

1-[2-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)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-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one (PubChem CID 158001003) has the molecular formula C153H179N27O6S6 and a molecular weight of 2684.70 g/mol. Its IUPAC name is 1-[2-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)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-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one.

Molecular Properties

Compound Name1-[2-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)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-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one
PubChem CID158001003
Molecular FormulaC153H179N27O6S6
Molecular Weight2684.70 g/mol
Exact Mass2682.29
IUPAC Name1-[2-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)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-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one
SMILESC=CC1=C(N)CN(c2ncc(C(=O)CC(CCCC)Cc3c[nH]c4ccccc34)s2)C1.CCCCC(CC(=O)c1cnc(N2CCC3=C(C=NC3)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3ccnc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3nc(C)cc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3nccc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2Cc3ccn(C)c3C2)s1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C26H31N5OS.2C26H30N4OS.2C25H29N5OS.C25H30N4OS/c1-3-4-7-19(13-20-15-27-23-9-6-5-8-22(20)23)14-24(32)25-16-28-26(33-25)30-10-11-31-21(17-30)12-18(2)29-31;1-3-4-7-18(12-20-14-27-22-9-6-5-8-21(20)22)13-24(31)25-15-28-26(32-25)30-16-19-10-11-29(2)23(19)17-30;1-2-3-6-18(11-20-15-28-23-8-5-4-7-22(20)23)12-24(31)25-16-29-26(32-25)30-10-9-19-13-27-14-21(19)17-30;1-2-3-6-18(13-19-15-26-22-8-5-4-7-21(19)22)14-23(31)24-16-27-25(32-24)29-11-12-30-20(17-29)9-10-28-30;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;1-3-5-8-17(11-19-13-27-22-10-7-6-9-20(19)22)12-23(30)24-14-28-25(31-24)29-15-18(4-2)21(26)16-29/h5-6,8-9,12,15-16,19,27H,3-4,7,10-11,13-14,17H2,1-2H3;5-6,8-11,14-15,18,27H,3-4,7,12-13,16-17H2,1-2H3;4-5,7-8,14-16,18,28H,2-3,6,9-13,17H2,1H3;4-5,7-10,15-16,18,26H,2-3,6,11-14,17H2,1H3;4-5,7-10,15-16,18,27H,2-3,6,11-14,17H2,1H3;4,6-7,9-10,13-14,17,27H,2-3,5,8,11-12,15-16,26H2,1H3
InChIKeyFDSRFDPUWMEOBB-UHFFFAOYSA-N
XLogP34.10
TPSA390.71 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds55
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002684.70
LogP ≤ 534.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze 1-[2-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)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-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one with MolForge

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Related Compounds

4,4-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;1-[2-(6,6-difluoro-4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;4-(1H-indol-3-yl)-3-(3-methylcyclohexyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-(3-methylcyclobutyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-6-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-6-(trifluoromethyl)-1,4-diazepan-1-yl]-1,3-thiazol-5-yl]heptan-1-one
CID 157085067
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-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-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-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-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-morpholin-4-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 157156159
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
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-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-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-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-morpholin-4-yl-1,3-thiazol-5-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 157339787
1-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[4-(2-fluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one
CID 157593490
1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone
CID 158388376
3-[(3,3-difluorocyclobutyl)methyl]-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;5,5-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;6,6-difluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-3-(3-methylcyclobutyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one
CID 159509642
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
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
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridine;1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;1-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylethanone;methane
CID 161746003
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-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)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-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one?
The IUPAC name of 1-[2-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)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-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one (CID 158001003) is 1-[2-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)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-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one.
What is the SMILES notation for 1-[2-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)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-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one?
The canonical SMILES for 1-[2-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)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-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one is C=CC1=C(N)CN(c2ncc(C(=O)CC(CCCC)Cc3c[nH]c4ccccc34)s2)C1.CCCCC(CC(=O)c1cnc(N2CCC3=C(C=NC3)C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3ccnc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3nc(C)cc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCn3nccc3C2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2Cc3ccn(C)c3C2)s1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)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-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one?
The InChIKey is FDSRFDPUWMEOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5OS.2C26H30N4OS.2C25H29N5OS.C25H30N4OS/c1-3-4-7-19(13-20-15-27-23-9-6-5-8-22(20)23)14-24(32)25-16-28-26(33-25)30-10-11-31-21(17-30)12-18(2)29-31;1-3-4-7-18(12-20-14-27-22-9-6-5-8-21(20)22)13-24(31)25-15-28-26(32-25)30-16-19-10-11-29(2)23(19)17-30;1-2-3-6-18(11-20-15-28-23-8-5-4-7-22(20)23)12-24(31)25-16-29-26(32-25)30-10-9-19-13-27-14-21(19)17-30;1-2-3-6-18(13-19-15-26-22-8-5-4-7-21(19)22)14-23(31)24-16-27-25(32-24)29-11-12-30-20(17-29)9-10-28-30;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;1-3-5-8-17(11-19-13-27-22-10-7-6-9-20(19)22)12-23(30)24-14-28-25(31-24)29-15-18(4-2)21(26)16-29/h5-6,8-9,12,15-16,19,27H,3-4,7,10-11,13-14,17H2,1-2H3;5-6,8-11,14-15,18,27H,3-4,7,12-13,16-17H2,1-2H3;4-5,7-8,14-16,18,28H,2-3,6,9-13,17H2,1H3;4-5,7-10,15-16,18,26H,2-3,6,11-14,17H2,1H3;4-5,7-10,15-16,18,27H,2-3,6,11-14,17H2,1H3;4,6-7,9-10,13-14,17,27H,2-3,5,8,11-12,15-16,26H2,1H3.
What are the key properties of 1-[2-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)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-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one?
1-[2-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)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-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one has a molecular weight of 2684.70 g/mol, XLogP of 34.10, 55 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-amino-4-ethenyl-2,5-dihydropyrrol-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)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-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methyl-4,6-dihydropyrrolo[3,4-b]pyrrol-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one is sourced from PubChem (CID 158001003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).