(1S)-1-[7-(4-chlorophenyl)-2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]-5-methylpyrimidine-2,4-dione;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]pyrimidine-2,4-dione;5-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one

C157H147Cl5N18O15S5 — CID 158027576

IUPAC(1S)-1-[7-(4-chlorophenyl)-2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]-5-methylpyrimidine-2,4-dione;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]pyrimidine-2,4-dione;5-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one
SMILESCC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cccc(-n4cc(C)c(=O)[nH]c4=O)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cccc(-n4ccc(=O)[nH]c4=O)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4ccc(=O)[nH]c4)c3)sc2c1-c1ccc(Cl)cc1.CCc1cnn2cc(-c3cc(-c4nc5cc(C)c([C@H](OC(C)(C)C)C(C)=O)c(-c6ccc(Cl)cc6)c5s4)ccn3)cnc12.CCc1cnn2cc(-c3nc4cc(C)c([C@H](OC(C)(C)C)C(C)=O)c(-c5ccc(Cl)cc5)c4s3)cnc12
InChIInChI=1S/C34H32ClN5O2S.C32H30ClN3O4S.C31H28ClN3O4S.C31H28ClN3O3S.C29H29ClN4O2S/c1-7-21-17-38-40-18-24(16-37-32(21)40)26-15-23(12-13-36-26)33-39-27-14-19(2)28(30(20(3)41)42-34(4,5)6)29(31(27)43-33)22-8-10-25(35)11-9-22;1-17-14-24-28(26(20-10-12-22(33)13-11-20)25(17)27(19(3)37)40-32(4,5)6)41-30(34-24)21-8-7-9-23(15-21)36-16-18(2)29(38)35-31(36)39;1-17-15-23-28(26(19-9-11-21(32)12-10-19)25(17)27(18(2)36)39-31(3,4)5)40-29(33-23)20-7-6-8-22(16-20)35-14-13-24(37)34-30(35)38;1-17-14-24-29(39-30(35-24)20-12-13-33-23(15-20)21-8-11-25(37)34-16-21)27(19-6-9-22(32)10-7-19)26(17)28(18(2)36)38-31(3,4)5;1-7-18-14-32-34-15-20(13-31-27(18)34)28-33-22-12-16(2)23(25(17(3)35)36-29(4,5)6)24(26(22)37-28)19-8-10-21(30)11-9-19/h8-18,30H,7H2,1-6H3;7-16,27H,1-6H3,(H,35,38,39);6-16,27H,1-5H3,(H,34,37,38);6-16,28H,1-5H3,(H,34,37);8-15,25H,7H2,1-6H3/t30-;2*27-;28-;25-/m11111/s1
InChIKeyFGTZVYCKQQMLIQ-VBVAMWGFSA-N
MW2863.61 g/mol
LogP38.20
Rot. Bonds31

About (1S)-1-[7-(4-chlorophenyl)-2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]-5-methylpyrimidine-2,4-dione;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]pyrimidine-2,4-dione;5-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one

(1S)-1-[7-(4-chlorophenyl)-2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]-5-methylpyrimidine-2,4-dione;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]pyrimidine-2,4-dione;5-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one (PubChem CID 158027576) has the molecular formula C157H147Cl5N18O15S5 and a molecular weight of 2863.61 g/mol. Its IUPAC name is (1S)-1-[7-(4-chlorophenyl)-2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]-5-methylpyrimidine-2,4-dione;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]pyrimidine-2,4-dione;5-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name(1S)-1-[7-(4-chlorophenyl)-2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]-5-methylpyrimidine-2,4-dione;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]pyrimidine-2,4-dione;5-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one
PubChem CID158027576
Molecular FormulaC157H147Cl5N18O15S5
Molecular Weight2863.61 g/mol
Exact Mass2858.83
IUPAC Name(1S)-1-[7-(4-chlorophenyl)-2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]-5-methylpyrimidine-2,4-dione;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]pyrimidine-2,4-dione;5-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one
SMILESCC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cccc(-n4cc(C)c(=O)[nH]c4=O)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cccc(-n4ccc(=O)[nH]c4=O)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4ccc(=O)[nH]c4)c3)sc2c1-c1ccc(Cl)cc1.CCc1cnn2cc(-c3cc(-c4nc5cc(C)c([C@H](OC(C)(C)C)C(C)=O)c(-c6ccc(Cl)cc6)c5s4)ccn3)cnc12.CCc1cnn2cc(-c3nc4cc(C)c([C@H](OC(C)(C)C)C(C)=O)c(-c5ccc(Cl)cc5)c4s3)cnc12
InChIInChI=1S/C34H32ClN5O2S.C32H30ClN3O4S.C31H28ClN3O4S.C31H28ClN3O3S.C29H29ClN4O2S/c1-7-21-17-38-40-18-24(16-37-32(21)40)26-15-23(12-13-36-26)33-39-27-14-19(2)28(30(20(3)41)42-34(4,5)6)29(31(27)43-33)22-8-10-25(35)11-9-22;1-17-14-24-28(26(20-10-12-22(33)13-11-20)25(17)27(19(3)37)40-32(4,5)6)41-30(34-24)21-8-7-9-23(15-21)36-16-18(2)29(38)35-31(36)39;1-17-15-23-28(26(19-9-11-21(32)12-10-19)25(17)27(18(2)36)39-31(3,4)5)40-29(33-23)20-7-6-8-22(16-20)35-14-13-24(37)34-30(35)38;1-17-14-24-29(39-30(35-24)20-12-13-33-23(15-20)21-8-11-25(37)34-16-21)27(19-6-9-22(32)10-7-19)26(17)28(18(2)36)38-31(3,4)5;1-7-18-14-32-34-15-20(13-31-27(18)34)28-33-22-12-16(2)23(25(17(3)35)36-29(4,5)6)24(26(22)37-28)19-8-10-21(30)11-9-19/h8-18,30H,7H2,1-6H3;7-16,27H,1-6H3,(H,35,38,39);6-16,27H,1-5H3,(H,34,37,38);6-16,28H,1-5H3,(H,34,37);8-15,25H,7H2,1-6H3/t30-;2*27-;28-;25-/m11111/s1
InChIKeyFGTZVYCKQQMLIQ-VBVAMWGFSA-N
XLogP38.20
TPSA424.69 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds31
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002863.61
LogP ≤ 538.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Analyze (1S)-1-[7-(4-chlorophenyl)-2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]-5-methylpyrimidine-2,4-dione;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]pyrimidine-2,4-dione;5-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[7-(4-chlorophenyl)-2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]-5-methylpyrimidine-2,4-dione;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]pyrimidine-2,4-dione;5-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one?
The IUPAC name of (1S)-1-[7-(4-chlorophenyl)-2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]-5-methylpyrimidine-2,4-dione;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]pyrimidine-2,4-dione;5-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one (CID 158027576) is (1S)-1-[7-(4-chlorophenyl)-2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]-5-methylpyrimidine-2,4-dione;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]pyrimidine-2,4-dione;5-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one.
What is the SMILES notation for (1S)-1-[7-(4-chlorophenyl)-2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]-5-methylpyrimidine-2,4-dione;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]pyrimidine-2,4-dione;5-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one?
The canonical SMILES for (1S)-1-[7-(4-chlorophenyl)-2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]-5-methylpyrimidine-2,4-dione;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]pyrimidine-2,4-dione;5-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one is CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cccc(-n4cc(C)c(=O)[nH]c4=O)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cccc(-n4ccc(=O)[nH]c4=O)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4ccc(=O)[nH]c4)c3)sc2c1-c1ccc(Cl)cc1.CCc1cnn2cc(-c3cc(-c4nc5cc(C)c([C@H](OC(C)(C)C)C(C)=O)c(-c6ccc(Cl)cc6)c5s4)ccn3)cnc12.CCc1cnn2cc(-c3nc4cc(C)c([C@H](OC(C)(C)C)C(C)=O)c(-c5ccc(Cl)cc5)c4s3)cnc12.
What is the InChIKey of (1S)-1-[7-(4-chlorophenyl)-2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]-5-methylpyrimidine-2,4-dione;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]pyrimidine-2,4-dione;5-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one?
The InChIKey is FGTZVYCKQQMLIQ-VBVAMWGFSA-N. The full InChI is InChI=1S/C34H32ClN5O2S.C32H30ClN3O4S.C31H28ClN3O4S.C31H28ClN3O3S.C29H29ClN4O2S/c1-7-21-17-38-40-18-24(16-37-32(21)40)26-15-23(12-13-36-26)33-39-27-14-19(2)28(30(20(3)41)42-34(4,5)6)29(31(27)43-33)22-8-10-25(35)11-9-22;1-17-14-24-28(26(20-10-12-22(33)13-11-20)25(17)27(19(3)37)40-32(4,5)6)41-30(34-24)21-8-7-9-23(15-21)36-16-18(2)29(38)35-31(36)39;1-17-15-23-28(26(19-9-11-21(32)12-10-19)25(17)27(18(2)36)39-31(3,4)5)40-29(33-23)20-7-6-8-22(16-20)35-14-13-24(37)34-30(35)38;1-17-14-24-29(39-30(35-24)20-12-13-33-23(15-20)21-8-11-25(37)34-16-21)27(19-6-9-22(32)10-7-19)26(17)28(18(2)36)38-31(3,4)5;1-7-18-14-32-34-15-20(13-31-27(18)34)28-33-22-12-16(2)23(25(17(3)35)36-29(4,5)6)24(26(22)37-28)19-8-10-21(30)11-9-19/h8-18,30H,7H2,1-6H3;7-16,27H,1-6H3,(H,35,38,39);6-16,27H,1-5H3,(H,34,37,38);6-16,28H,1-5H3,(H,34,37);8-15,25H,7H2,1-6H3/t30-;2*27-;28-;25-/m11111/s1.
What are the key properties of (1S)-1-[7-(4-chlorophenyl)-2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]-5-methylpyrimidine-2,4-dione;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]pyrimidine-2,4-dione;5-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one?
(1S)-1-[7-(4-chlorophenyl)-2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]-5-methylpyrimidine-2,4-dione;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]pyrimidine-2,4-dione;5-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one has a molecular weight of 2863.61 g/mol, XLogP of 38.20, 31 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[7-(4-chlorophenyl)-2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]-5-methylpyrimidine-2,4-dione;1-[3-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]phenyl]pyrimidine-2,4-dione;5-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one is sourced from PubChem (CID 158027576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).