(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1-methyl-3H-indol-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

C166H171Cl5N18O12S5 — CID 157090913

IUPAC(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1-methyl-3H-indol-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cc(-c4ccc5c(cnn5C)c4)cnc3C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)CC(=O)N4C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cccc(N4CCN(C(C)C)CC4)n3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cccc(N4CCN(C5COC5)CC4)n3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cnc(C)c(-c4ccc5c(cnn5C)c4)c3)sc2c1-c1ccc(Cl)cc1
InChIInChI=1S/2C35H33ClN4O2S.C33H37ClN4O3S.C33H39ClN4O2S.C30H29ClN2O3S/c1-19-14-28-33(31(22-8-11-26(36)12-9-22)30(19)32(21(3)41)42-35(4,5)6)43-34(39-28)27-16-24(17-37-20(27)2)23-10-13-29-25(15-23)18-38-40(29)7;1-19-14-28-33(31(22-8-11-26(36)12-9-22)30(19)32(21(3)41)42-35(4,5)6)43-34(39-28)25-16-27(20(2)37-17-25)23-10-13-29-24(15-23)18-38-40(29)7;1-20-17-26-31(29(22-9-11-23(34)12-10-22)28(20)30(21(2)39)41-33(3,4)5)42-32(36-26)25-7-6-8-27(35-25)38-15-13-37(14-16-38)24-18-40-19-24;1-20(2)37-15-17-38(18-16-37)27-10-8-9-25(35-27)32-36-26-19-21(3)28(30(22(4)39)40-33(5,6)7)29(31(26)41-32)23-11-13-24(34)14-12-23;1-16-13-22-28(37-29(32-22)19-9-12-23-20(14-19)15-24(35)33(23)6)26(18-7-10-21(31)11-8-18)25(16)27(17(2)34)36-30(3,4)5/h2*8-18,32H,1-7H3;6-12,17,24,30H,13-16,18-19H2,1-5H3;8-14,19-20,30H,15-18H2,1-7H3;7-14,27H,15H2,1-6H3/t2*32-;2*30-;27-/m11111/s1
InChIKeyAEQNDHWELFEPTQ-PTCQUWJDSA-N
MW2947.91 g/mol
LogP41.06
Rot. Bonds31

About (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1-methyl-3H-indol-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1-methyl-3H-indol-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 157090913) has the molecular formula C166H171Cl5N18O12S5 and a molecular weight of 2947.91 g/mol. Its IUPAC name is (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1-methyl-3H-indol-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

Compound Name(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1-methyl-3H-indol-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
PubChem CID157090913
Molecular FormulaC166H171Cl5N18O12S5
Molecular Weight2947.91 g/mol
Exact Mass2943.04
IUPAC Name(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1-methyl-3H-indol-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cc(-c4ccc5c(cnn5C)c4)cnc3C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)CC(=O)N4C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cccc(N4CCN(C(C)C)CC4)n3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cccc(N4CCN(C5COC5)CC4)n3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cnc(C)c(-c4ccc5c(cnn5C)c4)c3)sc2c1-c1ccc(Cl)cc1
InChIInChI=1S/2C35H33ClN4O2S.C33H37ClN4O3S.C33H39ClN4O2S.C30H29ClN2O3S/c1-19-14-28-33(31(22-8-11-26(36)12-9-22)30(19)32(21(3)41)42-35(4,5)6)43-34(39-28)27-16-24(17-37-20(27)2)23-10-13-29-25(15-23)18-38-40(29)7;1-19-14-28-33(31(22-8-11-26(36)12-9-22)30(19)32(21(3)41)42-35(4,5)6)43-34(39-28)25-16-27(20(2)37-17-25)23-10-13-29-24(15-23)18-38-40(29)7;1-20-17-26-31(29(22-9-11-23(34)12-10-22)28(20)30(21(2)39)41-33(3,4)5)42-32(36-26)25-7-6-8-27(35-25)38-15-13-37(14-16-38)24-18-40-19-24;1-20(2)37-15-17-38(18-16-37)27-10-8-9-25(35-27)32-36-26-19-21(3)28(30(22(4)39)40-33(5,6)7)29(31(26)41-32)23-11-13-24(34)14-12-23;1-16-13-22-28(37-29(32-22)19-9-12-23-20(14-19)15-24(35)33(23)6)26(18-7-10-21(31)11-8-18)25(16)27(17(2)34)36-30(3,4)5/h2*8-18,32H,1-7H3;6-12,17,24,30H,13-16,18-19H2,1-5H3;8-14,19-20,30H,15-18H2,1-7H3;7-14,27H,15H2,1-6H3/t2*32-;2*30-;27-/m11111/s1
InChIKeyAEQNDHWELFEPTQ-PTCQUWJDSA-N
XLogP41.06
TPSA325.65 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002947.91
LogP ≤ 541.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1-methyl-3H-indol-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1-methyl-3H-indol-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The IUPAC name of (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1-methyl-3H-indol-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 157090913) is (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1-methyl-3H-indol-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.
What is the SMILES notation for (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1-methyl-3H-indol-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The canonical SMILES for (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1-methyl-3H-indol-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cc(-c4ccc5c(cnn5C)c4)cnc3C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)CC(=O)N4C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cccc(N4CCN(C(C)C)CC4)n3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cccc(N4CCN(C5COC5)CC4)n3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cnc(C)c(-c4ccc5c(cnn5C)c4)c3)sc2c1-c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1-methyl-3H-indol-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The InChIKey is AEQNDHWELFEPTQ-PTCQUWJDSA-N. The full InChI is InChI=1S/2C35H33ClN4O2S.C33H37ClN4O3S.C33H39ClN4O2S.C30H29ClN2O3S/c1-19-14-28-33(31(22-8-11-26(36)12-9-22)30(19)32(21(3)41)42-35(4,5)6)43-34(39-28)27-16-24(17-37-20(27)2)23-10-13-29-25(15-23)18-38-40(29)7;1-19-14-28-33(31(22-8-11-26(36)12-9-22)30(19)32(21(3)41)42-35(4,5)6)43-34(39-28)25-16-27(20(2)37-17-25)23-10-13-29-24(15-23)18-38-40(29)7;1-20-17-26-31(29(22-9-11-23(34)12-10-22)28(20)30(21(2)39)41-33(3,4)5)42-32(36-26)25-7-6-8-27(35-25)38-15-13-37(14-16-38)24-18-40-19-24;1-20(2)37-15-17-38(18-16-37)27-10-8-9-25(35-27)32-36-26-19-21(3)28(30(22(4)39)40-33(5,6)7)29(31(26)41-32)23-11-13-24(34)14-12-23;1-16-13-22-28(37-29(32-22)19-9-12-23-20(14-19)15-24(35)33(23)6)26(18-7-10-21(31)11-8-18)25(16)27(17(2)34)36-30(3,4)5/h2*8-18,32H,1-7H3;6-12,17,24,30H,13-16,18-19H2,1-5H3;8-14,19-20,30H,15-18H2,1-7H3;7-14,27H,15H2,1-6H3/t2*32-;2*30-;27-/m11111/s1.
What are the key properties of (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1-methyl-3H-indol-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1-methyl-3H-indol-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 2947.91 g/mol, XLogP of 41.06, 31 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-methyl-5-(1-methylindazol-5-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;5-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-1-methyl-3H-indol-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 157090913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).