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

C169H220F7N29O8S7 — CID 157156159

IUPAC3-[(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
SMILESCCCCC(CC(=O)c1cnc(C2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2cc(F)c(F)cc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2cc(F)ccc12.CCCCC(CC(=O)c1nnc(CCN2CCN(C)CC2)s1)Cc1c[nH]c2ccc(F)cc12.CCCCC(CC(=O)c1nnc(CCN2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1nnc(N2CCOCC2)s1)Cc1c[nH]c2ccccc12.CN1CCN(c2ncc(C(=O)CC(CCCC(F)(F)F)Cc3c[nH]c4ccccc34)s2)CC1
InChIInChI=1S/C25H34FN5OS.C25H35N5OS.C25H33N3OS.C24H29F3N4OS.C24H30F2N4OS.C24H31FN4OS.C22H28N4O2S/c1-3-4-5-18(14-19-17-27-22-7-6-20(26)16-21(19)22)15-23(32)25-29-28-24(33-25)8-9-31-12-10-30(2)11-13-31;1-3-4-7-19(16-20-18-26-22-9-6-5-8-21(20)22)17-23(31)25-28-27-24(32-25)10-11-30-14-12-29(2)13-15-30;1-3-4-7-18(14-20-16-26-22-9-6-5-8-21(20)22)15-23(29)24-17-27-25(30-24)19-10-12-28(2)13-11-19;1-30-9-11-31(12-10-30)23-29-16-22(33-23)21(32)14-17(5-4-8-24(25,26)27)13-18-15-28-20-7-3-2-6-19(18)20;1-3-4-5-16(10-17-14-27-21-13-20(26)19(25)12-18(17)21)11-22(31)23-15-28-24(32-23)30-8-6-29(2)7-9-30;1-3-4-5-17(12-18-15-26-21-14-19(25)6-7-20(18)21)13-22(30)23-16-27-24(31-23)29-10-8-28(2)9-11-29;1-2-3-6-16(13-17-15-23-19-8-5-4-7-18(17)19)14-20(27)21-24-25-22(29-21)26-9-11-28-12-10-26/h6-7,16-18,27H,3-5,8-15H2,1-2H3;5-6,8-9,18-19,26H,3-4,7,10-17H2,1-2H3;5-6,8-9,16-19,26H,3-4,7,10-15H2,1-2H3;2-3,6-7,15-17,28H,4-5,8-14H2,1H3;12-16,27H,3-11H2,1-2H3;6-7,14-17,26H,3-5,8-13H2,1-2H3;4-5,7-8,15-16,23H,2-3,6,9-14H2,1H3
InChIKeyALVGGIJVWYSQLX-UHFFFAOYSA-N
MW3143.27 g/mol
LogP35.49
Rot. Bonds67

About 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

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 (PubChem CID 157156159) has the molecular formula C169H220F7N29O8S7 and a molecular weight of 3143.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[(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
PubChem CID157156159
Molecular FormulaC169H220F7N29O8S7
Molecular Weight3143.27 g/mol
Exact Mass3140.56
IUPAC Name3-[(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
SMILESCCCCC(CC(=O)c1cnc(C2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2cc(F)c(F)cc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2cc(F)ccc12.CCCCC(CC(=O)c1nnc(CCN2CCN(C)CC2)s1)Cc1c[nH]c2ccc(F)cc12.CCCCC(CC(=O)c1nnc(CCN2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1nnc(N2CCOCC2)s1)Cc1c[nH]c2ccccc12.CN1CCN(c2ncc(C(=O)CC(CCCC(F)(F)F)Cc3c[nH]c4ccccc34)s2)CC1
InChIInChI=1S/C25H34FN5OS.C25H35N5OS.C25H33N3OS.C24H29F3N4OS.C24H30F2N4OS.C24H31FN4OS.C22H28N4O2S/c1-3-4-5-18(14-19-17-27-22-7-6-20(26)16-21(19)22)15-23(32)25-29-28-24(33-25)8-9-31-12-10-30(2)11-13-31;1-3-4-7-19(16-20-18-26-22-9-6-5-8-21(20)22)17-23(31)25-28-27-24(32-25)10-11-30-14-12-29(2)13-15-30;1-3-4-7-18(14-20-16-26-22-9-6-5-8-21(20)22)15-23(29)24-17-27-25(30-24)19-10-12-28(2)13-11-19;1-30-9-11-31(12-10-30)23-29-16-22(33-23)21(32)14-17(5-4-8-24(25,26)27)13-18-15-28-20-7-3-2-6-19(18)20;1-3-4-5-16(10-17-14-27-21-13-20(26)19(25)12-18(17)21)11-22(31)23-15-28-24(32-23)30-8-6-29(2)7-9-30;1-3-4-5-17(12-18-15-26-21-14-19(25)6-7-20(18)21)13-22(30)23-16-27-24(31-23)29-10-8-28(2)9-11-29;1-2-3-6-16(13-17-15-23-19-8-5-4-7-18(17)19)14-20(27)21-24-25-22(29-21)26-9-11-28-12-10-26/h6-7,16-18,27H,3-5,8-15H2,1-2H3;5-6,8-9,18-19,26H,3-4,7,10-17H2,1-2H3;5-6,8-9,16-19,26H,3-4,7,10-15H2,1-2H3;2-3,6-7,15-17,28H,4-5,8-14H2,1H3;12-16,27H,3-11H2,1-2H3;6-7,14-17,26H,3-5,8-13H2,1-2H3;4-5,7-8,15-16,23H,2-3,6,9-14H2,1H3
InChIKeyALVGGIJVWYSQLX-UHFFFAOYSA-N
XLogP35.49
TPSA407.03 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds67
Heavy Atoms220
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003143.27
LogP ≤ 535.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC(CC(=O)c1cnc(C2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2cc(F)c(F)cc12.CCCCC(CC(=O)c1cnc(N2CCN(C)CC2)s1)Cc1c[nH]c2cc(F)ccc12.CCCCC(CC(=O)c1nnc(CCN2CCN(C)CC2)s1)Cc1c[nH]c2ccc(F)cc12.CCCCC(CC(=O)c1nnc(CCN2CCN(C)CC2)s1)Cc1c[nH]c2ccccc12.CCCCC(CC(=O)c1nnc(N2CCOCC2)s1)Cc1c[nH]c2ccccc12.CN1CCN(c2ncc(C(=O)CC(CCCC(F)(F)F)Cc3c[nH]c4ccccc34)s2)CC1.
What is the InChIKey of 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?
The InChIKey is ALVGGIJVWYSQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN5OS.C25H35N5OS.C25H33N3OS.C24H29F3N4OS.C24H30F2N4OS.C24H31FN4OS.C22H28N4O2S/c1-3-4-5-18(14-19-17-27-22-7-6-20(26)16-21(19)22)15-23(32)25-29-28-24(33-25)8-9-31-12-10-30(2)11-13-31;1-3-4-7-19(16-20-18-26-22-9-6-5-8-21(20)22)17-23(31)25-28-27-24(32-25)10-11-30-14-12-29(2)13-15-30;1-3-4-7-18(14-20-16-26-22-9-6-5-8-21(20)22)15-23(29)24-17-27-25(30-24)19-10-12-28(2)13-11-19;1-30-9-11-31(12-10-30)23-29-16-22(33-23)21(32)14-17(5-4-8-24(25,26)27)13-18-15-28-20-7-3-2-6-19(18)20;1-3-4-5-16(10-17-14-27-21-13-20(26)19(25)12-18(17)21)11-22(31)23-15-28-24(32-23)30-8-6-29(2)7-9-30;1-3-4-5-17(12-18-15-26-21-14-19(25)6-7-20(18)21)13-22(30)23-16-27-24(31-23)29-10-8-28(2)9-11-29;1-2-3-6-16(13-17-15-23-19-8-5-4-7-18(17)19)14-20(27)21-24-25-22(29-21)26-9-11-28-12-10-26/h6-7,16-18,27H,3-5,8-15H2,1-2H3;5-6,8-9,18-19,26H,3-4,7,10-17H2,1-2H3;5-6,8-9,16-19,26H,3-4,7,10-15H2,1-2H3;2-3,6-7,15-17,28H,4-5,8-14H2,1H3;12-16,27H,3-11H2,1-2H3;6-7,14-17,26H,3-5,8-13H2,1-2H3;4-5,7-8,15-16,23H,2-3,6,9-14H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 3143.27 g/mol, XLogP of 35.49, 67 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157156159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).