1-[4-(4-chloro-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chloro-2-hydroxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-ethoxy-3-[4-[2-(hydroxymethyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;2-[3-(1-ethoxy-2-hydroxyprop-2-enyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]phenol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol

C147H162Cl3FN8O15S6 — CID 158591807

IUPAC1-[4-(4-chloro-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chloro-2-hydroxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-ethoxy-3-[4-[2-(hydroxymethyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;2-[3-(1-ethoxy-2-hydroxyprop-2-enyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]phenol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol
SMILESC=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc2cnn(C)c2c1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccccc1CO)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccccc1O)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc(Cl)cc1)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc(Cl)cc1F)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc(Cl)cc1O)CCCC3
InChIInChI=1S/C25H27ClFNO2S.C25H28ClNO3S.C25H28ClNO2S.C25H27N3O2S.C24H27NO3S.C23H25NO3S/c1-13-20(23(14(2)29)30-25(3,4)5)21(16-11-10-15(26)12-18(16)27)22-17-8-6-7-9-19(17)31-24(22)28-13;1-13-20(23(14(2)28)30-25(3,4)5)21(16-11-10-15(26)12-18(16)29)22-17-8-6-7-9-19(17)31-24(22)27-13;1-14-20(23(15(2)28)29-25(3,4)5)21(16-10-12-17(26)13-11-16)22-18-8-6-7-9-19(18)30-24(22)27-14;1-5-30-24(15(3)29)21-14(2)27-25-23(18-8-6-7-9-20(18)31-25)22(21)16-10-11-17-13-26-28(4)19(17)12-16;1-4-28-23(15(3)27)20-14(2)25-24-22(18-11-7-8-12-19(18)29-24)21(20)17-10-6-5-9-16(17)13-26;1-4-27-22(14(3)25)19-13(2)24-23-21(16-10-6-8-12-18(16)28-23)20(19)15-9-5-7-11-17(15)26/h10-12,23H,6-9H2,1-5H3;10-12,23,29H,6-9H2,1-5H3;10-13,23H,6-9H2,1-5H3;10-13,24,29H,3,5-9H2,1-2,4H3;5-6,9-10,23,26-27H,3-4,7-8,11-13H2,1-2H3;5,7,9,11,22,25-26H,3-4,6,8,10,12H2,1-2H3
InChIKeyHUNNAPIEHZUOEU-UHFFFAOYSA-N
MW2598.71 g/mol
LogP39.58
Rot. Bonds28

About 1-[4-(4-chloro-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chloro-2-hydroxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-ethoxy-3-[4-[2-(hydroxymethyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;2-[3-(1-ethoxy-2-hydroxyprop-2-enyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]phenol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol

1-[4-(4-chloro-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chloro-2-hydroxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-ethoxy-3-[4-[2-(hydroxymethyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;2-[3-(1-ethoxy-2-hydroxyprop-2-enyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]phenol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol (PubChem CID 158591807) has the molecular formula C147H162Cl3FN8O15S6 and a molecular weight of 2598.71 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chloro-2-hydroxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-ethoxy-3-[4-[2-(hydroxymethyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;2-[3-(1-ethoxy-2-hydroxyprop-2-enyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]phenol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol.

Molecular Properties

Compound Name1-[4-(4-chloro-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chloro-2-hydroxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-ethoxy-3-[4-[2-(hydroxymethyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;2-[3-(1-ethoxy-2-hydroxyprop-2-enyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]phenol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol
PubChem CID158591807
Molecular FormulaC147H162Cl3FN8O15S6
Molecular Weight2598.71 g/mol
Exact Mass2594.95
IUPAC Name1-[4-(4-chloro-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chloro-2-hydroxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-ethoxy-3-[4-[2-(hydroxymethyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;2-[3-(1-ethoxy-2-hydroxyprop-2-enyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]phenol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol
SMILESC=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc2cnn(C)c2c1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccccc1CO)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccccc1O)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc(Cl)cc1)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc(Cl)cc1F)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc(Cl)cc1O)CCCC3
InChIInChI=1S/C25H27ClFNO2S.C25H28ClNO3S.C25H28ClNO2S.C25H27N3O2S.C24H27NO3S.C23H25NO3S/c1-13-20(23(14(2)29)30-25(3,4)5)21(16-11-10-15(26)12-18(16)27)22-17-8-6-7-9-19(17)31-24(22)28-13;1-13-20(23(14(2)28)30-25(3,4)5)21(16-11-10-15(26)12-18(16)29)22-17-8-6-7-9-19(17)31-24(22)27-13;1-14-20(23(15(2)28)29-25(3,4)5)21(16-10-12-17(26)13-11-16)22-18-8-6-7-9-19(18)30-24(22)27-14;1-5-30-24(15(3)29)21-14(2)27-25-23(18-8-6-7-9-20(18)31-25)22(21)16-10-11-17-13-26-28(4)19(17)12-16;1-4-28-23(15(3)27)20-14(2)25-24-22(18-11-7-8-12-19(18)29-24)21(20)17-10-6-5-9-16(17)13-26;1-4-27-22(14(3)25)19-13(2)24-23-21(16-10-6-8-12-18(16)28-23)20(19)15-9-5-7-11-17(15)26/h10-12,23H,6-9H2,1-5H3;10-12,23,29H,6-9H2,1-5H3;10-13,23H,6-9H2,1-5H3;10-13,24,29H,3,5-9H2,1-2,4H3;5-6,9-10,23,26-27H,3-4,7-8,11-13H2,1-2H3;5,7,9,11,22,25-26H,3-4,6,8,10,12H2,1-2H3
InChIKeyHUNNAPIEHZUOEU-UHFFFAOYSA-N
XLogP39.58
TPSA323.13 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms180
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002598.71
LogP ≤ 539.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[4-(4-chloro-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chloro-2-hydroxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-ethoxy-3-[4-[2-(hydroxymethyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;2-[3-(1-ethoxy-2-hydroxyprop-2-enyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]phenol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chloro-2-hydroxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-ethoxy-3-[4-[2-(hydroxymethyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;2-[3-(1-ethoxy-2-hydroxyprop-2-enyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]phenol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol?
The IUPAC name of 1-[4-(4-chloro-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chloro-2-hydroxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-ethoxy-3-[4-[2-(hydroxymethyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;2-[3-(1-ethoxy-2-hydroxyprop-2-enyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]phenol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol (CID 158591807) is 1-[4-(4-chloro-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chloro-2-hydroxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-ethoxy-3-[4-[2-(hydroxymethyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;2-[3-(1-ethoxy-2-hydroxyprop-2-enyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]phenol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol.
What is the SMILES notation for 1-[4-(4-chloro-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chloro-2-hydroxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-ethoxy-3-[4-[2-(hydroxymethyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;2-[3-(1-ethoxy-2-hydroxyprop-2-enyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]phenol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol?
The canonical SMILES for 1-[4-(4-chloro-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chloro-2-hydroxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-ethoxy-3-[4-[2-(hydroxymethyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;2-[3-(1-ethoxy-2-hydroxyprop-2-enyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]phenol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol is C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccc2cnn(C)c2c1)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccccc1CO)CCCC3.C=C(O)C(OCC)c1c(C)nc2sc3c(c2c1-c1ccccc1O)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc(Cl)cc1)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc(Cl)cc1F)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc(Cl)cc1O)CCCC3.
What is the InChIKey of 1-[4-(4-chloro-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chloro-2-hydroxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-ethoxy-3-[4-[2-(hydroxymethyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;2-[3-(1-ethoxy-2-hydroxyprop-2-enyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]phenol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol?
The InChIKey is HUNNAPIEHZUOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClFNO2S.C25H28ClNO3S.C25H28ClNO2S.C25H27N3O2S.C24H27NO3S.C23H25NO3S/c1-13-20(23(14(2)29)30-25(3,4)5)21(16-11-10-15(26)12-18(16)27)22-17-8-6-7-9-19(17)31-24(22)28-13;1-13-20(23(14(2)28)30-25(3,4)5)21(16-11-10-15(26)12-18(16)29)22-17-8-6-7-9-19(17)31-24(22)27-13;1-14-20(23(15(2)28)29-25(3,4)5)21(16-10-12-17(26)13-11-16)22-18-8-6-7-9-19(18)30-24(22)27-14;1-5-30-24(15(3)29)21-14(2)27-25-23(18-8-6-7-9-20(18)31-25)22(21)16-10-11-17-13-26-28(4)19(17)12-16;1-4-28-23(15(3)27)20-14(2)25-24-22(18-11-7-8-12-19(18)29-24)21(20)17-10-6-5-9-16(17)13-26;1-4-27-22(14(3)25)19-13(2)24-23-21(16-10-6-8-12-18(16)28-23)20(19)15-9-5-7-11-17(15)26/h10-12,23H,6-9H2,1-5H3;10-12,23,29H,6-9H2,1-5H3;10-13,23H,6-9H2,1-5H3;10-13,24,29H,3,5-9H2,1-2,4H3;5-6,9-10,23,26-27H,3-4,7-8,11-13H2,1-2H3;5,7,9,11,22,25-26H,3-4,6,8,10,12H2,1-2H3.
What are the key properties of 1-[4-(4-chloro-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chloro-2-hydroxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-ethoxy-3-[4-[2-(hydroxymethyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;2-[3-(1-ethoxy-2-hydroxyprop-2-enyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]phenol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol?
1-[4-(4-chloro-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chloro-2-hydroxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-ethoxy-3-[4-[2-(hydroxymethyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;2-[3-(1-ethoxy-2-hydroxyprop-2-enyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]phenol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol has a molecular weight of 2598.71 g/mol, XLogP of 39.58, 28 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chloro-2-hydroxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-ethoxy-3-[4-[2-(hydroxymethyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol;2-[3-(1-ethoxy-2-hydroxyprop-2-enyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]phenol;3-ethoxy-3-[2-methyl-4-(1-methylindazol-6-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]prop-1-en-2-ol is sourced from PubChem (CID 158591807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).