3-(ethoxymethyl)-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(oxan-4-yl)butan-1-one

C93H120N16O8S4 — CID 158792630

IUPAC3-(ethoxymethyl)-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(oxan-4-yl)butan-1-one
SMILESCCOCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CN1CCN(c2ncc(C(=O)CC(Cc3c[nH]c4ccccc34)C3CCOCC3)s2)CC1.COCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.COCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H32N4O2S.2C23H30N4O2S.C22H28N4O2S/c1-28-8-10-29(11-9-28)25-27-17-24(32-25)23(30)15-19(18-6-12-31-13-7-18)14-20-16-26-22-5-3-2-4-21(20)22;1-26-8-10-27(11-9-26)23-25-16-22(30-23)21(28)14-17(7-12-29-2)13-18-15-24-20-6-4-3-5-19(18)20;1-3-29-16-17(12-18-14-24-20-7-5-4-6-19(18)20)13-21(28)22-15-25-23(30-22)27-10-8-26(2)9-11-27;1-25-7-9-26(10-8-25)22-24-14-21(29-22)20(27)12-16(15-28-2)11-17-13-23-19-6-4-3-5-18(17)19/h2-5,16-19,26H,6-15H2,1H3;3-6,15-17,24H,7-14H2,1-2H3;4-7,14-15,17,24H,3,8-13,16H2,1-2H3;3-6,13-14,16,23H,7-12,15H2,1-2H3
InChIKeyISLVFIWIMNRCPW-UHFFFAOYSA-N
MW1718.35 g/mol
LogP15.38
Rot. Bonds33

About 3-(ethoxymethyl)-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(oxan-4-yl)butan-1-one

3-(ethoxymethyl)-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(oxan-4-yl)butan-1-one (PubChem CID 158792630) has the molecular formula C93H120N16O8S4 and a molecular weight of 1718.35 g/mol. Its IUPAC name is 3-(ethoxymethyl)-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(oxan-4-yl)butan-1-one.

Molecular Properties

Compound Name3-(ethoxymethyl)-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(oxan-4-yl)butan-1-one
PubChem CID158792630
Molecular FormulaC93H120N16O8S4
Molecular Weight1718.35 g/mol
Exact Mass1716.84
IUPAC Name3-(ethoxymethyl)-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(oxan-4-yl)butan-1-one
SMILESCCOCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CN1CCN(c2ncc(C(=O)CC(Cc3c[nH]c4ccccc34)C3CCOCC3)s2)CC1.COCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.COCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H32N4O2S.2C23H30N4O2S.C22H28N4O2S/c1-28-8-10-29(11-9-28)25-27-17-24(32-25)23(30)15-19(18-6-12-31-13-7-18)14-20-16-26-22-5-3-2-4-21(20)22;1-26-8-10-27(11-9-26)23-25-16-22(30-23)21(28)14-17(7-12-29-2)13-18-15-24-20-6-4-3-5-19(18)20;1-3-29-16-17(12-18-14-24-20-7-5-4-6-19(18)20)13-21(28)22-15-25-23(30-22)27-10-8-26(2)9-11-27;1-25-7-9-26(10-8-25)22-24-14-21(29-22)20(27)12-16(15-28-2)11-17-13-23-19-6-4-3-5-18(17)19/h2-5,16-19,26H,6-15H2,1H3;3-6,15-17,24H,7-14H2,1-2H3;4-7,14-15,17,24H,3,8-13,16H2,1-2H3;3-6,13-14,16,23H,7-12,15H2,1-2H3
InChIKeyISLVFIWIMNRCPW-UHFFFAOYSA-N
XLogP15.38
TPSA245.84 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds33
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001718.35
LogP ≤ 515.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 3-(ethoxymethyl)-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(oxan-4-yl)butan-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
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
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-phenylbutan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one
CID 158510520
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
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
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
5-cyclopropyl-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-4-methyl-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-propoxybutan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-[3-(trifluoromethyl)cyclobutyl]butan-1-one;1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(pyrrolidin-3-ylmethyl)heptan-1-one
CID 162053130
tert-butyl 4-[5-[3-(1H-indol-3-ylmethyl)heptanoyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one
CID 157186458
1-(2-bromo-1,3-thiazol-5-yl)-3-(1H-indol-3-ylmethyl)heptan-1-one;bis(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);2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 157293585
N-butyl-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-cyclopentyl-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;1-[2-[3-(difluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[3-(fluoromethyl)-4-methylpiperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-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-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one
CID 157331652

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(oxan-4-yl)butan-1-one?
The IUPAC name of 3-(ethoxymethyl)-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(oxan-4-yl)butan-1-one (CID 158792630) is 3-(ethoxymethyl)-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(oxan-4-yl)butan-1-one.
What is the SMILES notation for 3-(ethoxymethyl)-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(oxan-4-yl)butan-1-one?
The canonical SMILES for 3-(ethoxymethyl)-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(oxan-4-yl)butan-1-one is CCOCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CN1CCN(c2ncc(C(=O)CC(Cc3c[nH]c4ccccc34)C3CCOCC3)s2)CC1.COCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.COCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(ethoxymethyl)-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(oxan-4-yl)butan-1-one?
The InChIKey is ISLVFIWIMNRCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2S.2C23H30N4O2S.C22H28N4O2S/c1-28-8-10-29(11-9-28)25-27-17-24(32-25)23(30)15-19(18-6-12-31-13-7-18)14-20-16-26-22-5-3-2-4-21(20)22;1-26-8-10-27(11-9-26)23-25-16-22(30-23)21(28)14-17(7-12-29-2)13-18-15-24-20-6-4-3-5-19(18)20;1-3-29-16-17(12-18-14-24-20-7-5-4-6-19(18)20)13-21(28)22-15-25-23(30-22)27-10-8-26(2)9-11-27;1-25-7-9-26(10-8-25)22-24-14-21(29-22)20(27)12-16(15-28-2)11-17-13-23-19-6-4-3-5-18(17)19/h2-5,16-19,26H,6-15H2,1H3;3-6,15-17,24H,7-14H2,1-2H3;4-7,14-15,17,24H,3,8-13,16H2,1-2H3;3-6,13-14,16,23H,7-12,15H2,1-2H3.
What are the key properties of 3-(ethoxymethyl)-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(oxan-4-yl)butan-1-one?
3-(ethoxymethyl)-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(oxan-4-yl)butan-1-one has a molecular weight of 1718.35 g/mol, XLogP of 15.38, 33 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-4-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-1-one;3-(1H-indol-3-ylmethyl)-5-methoxy-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pentan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(oxan-4-yl)butan-1-one is sourced from PubChem (CID 158792630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).