(1S)-1-[2-[3-amino-6-(1-methylindazol-5-yl)-2-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(1-methylindazol-5-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-[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-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

C166H168Cl5N21O11S6 — CID 157089278

IUPAC(1S)-1-[2-[3-amino-6-(1-methylindazol-5-yl)-2-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(1-methylindazol-5-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-[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-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(-c3cccc(-c4ccc5c(cnn5C)c4)n3)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(-c3nc(-c4ccc5c(cnn5C)c4)ccc3N)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3nc(-c4ccc5c(cnn5C)c4)cs3)sc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C34H32ClN5O2S.C34H31ClN4O2S.C33H37ClN4O3S.C33H39ClN4O2S.C32H29ClN4O2S2/c1-18-15-26-32(29(20-7-10-23(35)11-8-20)28(18)31(19(2)41)42-34(3,4)5)43-33(39-26)30-24(36)12-13-25(38-30)21-9-14-27-22(16-21)17-37-40(27)6;1-19-16-27-32(30(21-10-13-24(35)14-11-21)29(19)31(20(2)40)41-34(3,4)5)42-33(38-27)26-9-7-8-25(37-26)22-12-15-28-23(17-22)18-36-39(28)6;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;1-17-13-23-29(27(19-7-10-22(33)11-8-19)26(17)28(18(2)38)39-32(3,4)5)41-31(35-23)30-36-24(16-40-30)20-9-12-25-21(14-20)15-34-37(25)6/h7-17,31H,36H2,1-6H3;7-18,31H,1-6H3;6-12,17,24,30H,13-16,18-19H2,1-5H3;8-14,19-20,30H,15-18H2,1-7H3;7-16,28H,1-6H3/t2*31-;2*30-;28-/m11111/s1
InChIKeyAELVPTWOUGITBH-MUKDUIBASA-N
MW3002.97 g/mol
LogP41.52
Rot. Bonds32

About (1S)-1-[2-[3-amino-6-(1-methylindazol-5-yl)-2-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(1-methylindazol-5-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-[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-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-[2-[3-amino-6-(1-methylindazol-5-yl)-2-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(1-methylindazol-5-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-[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-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 157089278) has the molecular formula C166H168Cl5N21O11S6 and a molecular weight of 3002.97 g/mol. Its IUPAC name is (1S)-1-[2-[3-amino-6-(1-methylindazol-5-yl)-2-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(1-methylindazol-5-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-[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-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-[2-[3-amino-6-(1-methylindazol-5-yl)-2-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(1-methylindazol-5-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-[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-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 CID157089278
Molecular FormulaC166H168Cl5N21O11S6
Molecular Weight3002.97 g/mol
Exact Mass2998.00
IUPAC Name(1S)-1-[2-[3-amino-6-(1-methylindazol-5-yl)-2-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(1-methylindazol-5-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-[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-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(-c3cccc(-c4ccc5c(cnn5C)c4)n3)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(-c3nc(-c4ccc5c(cnn5C)c4)ccc3N)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3nc(-c4ccc5c(cnn5C)c4)cs3)sc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C34H32ClN5O2S.C34H31ClN4O2S.C33H37ClN4O3S.C33H39ClN4O2S.C32H29ClN4O2S2/c1-18-15-26-32(29(20-7-10-23(35)11-8-20)28(18)31(19(2)41)42-34(3,4)5)43-33(39-26)30-24(36)12-13-25(38-30)21-9-14-27-22(16-21)17-37-40(27)6;1-19-16-27-32(30(21-10-13-24(35)14-11-21)29(19)31(20(2)40)41-34(3,4)5)42-33(38-27)26-9-7-8-25(37-26)22-12-15-28-23(17-22)18-36-39(28)6;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;1-17-13-23-29(27(19-7-10-22(33)11-8-19)26(17)28(18(2)38)39-32(3,4)5)41-31(35-23)30-36-24(16-40-30)20-9-12-25-21(14-20)15-34-37(25)6/h7-17,31H,36H2,1-6H3;7-18,31H,1-6H3;6-12,17,24,30H,13-16,18-19H2,1-5H3;8-14,19-20,30H,15-18H2,1-7H3;7-16,28H,1-6H3/t2*31-;2*30-;28-/m11111/s1
InChIKeyAELVPTWOUGITBH-MUKDUIBASA-N
XLogP41.52
TPSA362.07 Ų
H-Bond Donors1
H-Bond Acceptors38
Rotatable Bonds32
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003002.97
LogP ≤ 541.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1038

Analyze (1S)-1-[2-[3-amino-6-(1-methylindazol-5-yl)-2-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(1-methylindazol-5-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-[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-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-[2-[3-amino-6-(1-methylindazol-5-yl)-2-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(1-methylindazol-5-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-[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-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-[2-[3-amino-6-(1-methylindazol-5-yl)-2-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(1-methylindazol-5-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-[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-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 157089278) is (1S)-1-[2-[3-amino-6-(1-methylindazol-5-yl)-2-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(1-methylindazol-5-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-[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-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-[2-[3-amino-6-(1-methylindazol-5-yl)-2-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(1-methylindazol-5-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-[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-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-[2-[3-amino-6-(1-methylindazol-5-yl)-2-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(1-methylindazol-5-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-[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-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(-c3cccc(-c4ccc5c(cnn5C)c4)n3)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(-c3nc(-c4ccc5c(cnn5C)c4)ccc3N)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3nc(-c4ccc5c(cnn5C)c4)cs3)sc2c1-c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-[2-[3-amino-6-(1-methylindazol-5-yl)-2-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(1-methylindazol-5-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-[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-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 AELVPTWOUGITBH-MUKDUIBASA-N. The full InChI is InChI=1S/C34H32ClN5O2S.C34H31ClN4O2S.C33H37ClN4O3S.C33H39ClN4O2S.C32H29ClN4O2S2/c1-18-15-26-32(29(20-7-10-23(35)11-8-20)28(18)31(19(2)41)42-34(3,4)5)43-33(39-26)30-24(36)12-13-25(38-30)21-9-14-27-22(16-21)17-37-40(27)6;1-19-16-27-32(30(21-10-13-24(35)14-11-21)29(19)31(20(2)40)41-34(3,4)5)42-33(38-27)26-9-7-8-25(37-26)22-12-15-28-23(17-22)18-36-39(28)6;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;1-17-13-23-29(27(19-7-10-22(33)11-8-19)26(17)28(18(2)38)39-32(3,4)5)41-31(35-23)30-36-24(16-40-30)20-9-12-25-21(14-20)15-34-37(25)6/h7-17,31H,36H2,1-6H3;7-18,31H,1-6H3;6-12,17,24,30H,13-16,18-19H2,1-5H3;8-14,19-20,30H,15-18H2,1-7H3;7-16,28H,1-6H3/t2*31-;2*30-;28-/m11111/s1.
What are the key properties of (1S)-1-[2-[3-amino-6-(1-methylindazol-5-yl)-2-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(1-methylindazol-5-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-[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-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-[2-[3-amino-6-(1-methylindazol-5-yl)-2-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(1-methylindazol-5-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-[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-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 3002.97 g/mol, XLogP of 41.52, 32 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[3-amino-6-(1-methylindazol-5-yl)-2-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[6-(1-methylindazol-5-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-[4-(1-methylindazol-5-yl)-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-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 157089278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).