1-[4-[6-(dimethylamino)-5-methyl-3-pyridinyl]-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-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-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-ethyl-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-[2-methyl-4-(3-methyl-1H-isoindol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(2-methylpropan-2-yl)oxy]-1-[2-methyl-4-(3-pyrazol-1-ylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one

C140H166N12O11S5 — CID 160845137

About 1-[4-[6-(dimethylamino)-5-methyl-3-pyridinyl]-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-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-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-ethyl-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-[2-methyl-4-(3-methyl-1H-isoindol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(2-methylpropan-2-yl)oxy]-1-[2-methyl-4-(3-pyrazol-1-ylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one

1-[4-[6-(dimethylamino)-5-methyl-3-pyridinyl]-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-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-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-ethyl-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-[2-methyl-4-(3-methyl-1H-isoindol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(2-methylpropan-2-yl)oxy]-1-[2-methyl-4-(3-pyrazol-1-ylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one (PubChem CID 160845137) has the molecular formula C140H166N12O11S5 and a molecular weight of 2353.28 g/mol. Its IUPAC name is 1-[4-[6-(dimethylamino)-5-methyl-3-pyridinyl]-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-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-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-ethyl-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-[2-methyl-4-(3-methyl-1H-isoindol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(2-methylpropan-2-yl)oxy]-1-[2-methyl-4-(3-pyrazol-1-ylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one.

Molecular Properties

• Compound Name: 1-[4-[6-(dimethylamino)-5-methyl-3-pyridinyl]-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-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-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-ethyl-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-[2-methyl-4-(3-methyl-1H-isoindol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(2-methylpropan-2-yl)oxy]-1-[2-methyl-4-(3-pyrazol-1-ylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one
• PubChem CID: 160845137
• Molecular Formula: C140H166N12O11S5
• Molecular Weight: 2353.28 g/mol
• Exact Mass: 2351.14
• IUPAC Name: 1-[4-[6-(dimethylamino)-5-methyl-3-pyridinyl]-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-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-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-ethyl-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-[2-methyl-4-(3-methyl-1H-isoindol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(2-methylpropan-2-yl)oxy]-1-[2-methyl-4-(3-pyrazol-1-ylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one
• SMILES: CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc2c(c1)C(C)=NC2)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1cccc(-n2cccn2)c1)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1cccc(-n2nc(C)cc2C)c1)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1cnc(N(C)C)c(C)c1)CCCC3.CCc1ccc(-c2c(C(OC(C)(C)C)C(C)=O)c(C)nc3sc4c(c23)CCCC4)c(O)c1
• InChI: InChI=1S/C30H35N3O2S.C28H31N3O2S.C28H32N2O2S.C27H35N3O2S.C27H33NO3S/c1-17-15-18(2)33(32-17)22-12-10-11-21(16-22)26-25(28(20(4)34)35-30(5,6)7)19(3)31-29-27(26)23-13-8-9-14-24(23)36-29;1-17-23(26(18(2)32)33-28(3,4)5)24(19-10-8-11-20(16-19)31-15-9-14-29-31)25-21-12-6-7-13-22(21)34-27(25)30-17;1-15-21-13-18(11-12-19(21)14-29-15)24-23(26(17(3)31)32-28(4,5)6)16(2)30-27-25(24)20-9-7-8-10-22(20)33-27;1-15-13-18(14-28-25(15)30(7)8)22-21(24(17(3)31)32-27(4,5)6)16(2)29-26-23(22)19-11-9-10-12-20(19)33-26;1-7-17-12-13-18(20(30)14-17)23-22(25(16(3)29)31-27(4,5)6)15(2)28-26-24(23)19-10-8-9-11-21(19)32-26/h10-12,15-16,28H,8-9,13-14H2,1-7H3;8-11,14-16,26H,6-7,12-13H2,1-5H3;11-13,26H,7-10,14H2,1-6H3;13-14,24H,9-12H2,1-8H3;12-14,25,30H,7-11H2,1-6H3
• InChIKey: SINUWNFUWVFEGF-UHFFFAOYSA-N
• XLogP: 34.33
• TPSA: 280.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2353.28
LogP ≤ 5	34.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(dimethylamino)-5-methyl-3-pyridinyl]-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-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-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-ethyl-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-[2-methyl-4-(3-methyl-1H-isoindol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(2-methylpropan-2-yl)oxy]-1-[2-methyl-4-(3-pyrazol-1-ylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one?

The IUPAC name of 1-[4-[6-(dimethylamino)-5-methyl-3-pyridinyl]-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-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-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-ethyl-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-[2-methyl-4-(3-methyl-1H-isoindol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(2-methylpropan-2-yl)oxy]-1-[2-methyl-4-(3-pyrazol-1-ylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one (CID 160845137) is 1-[4-[6-(dimethylamino)-5-methyl-3-pyridinyl]-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-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-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-ethyl-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-[2-methyl-4-(3-methyl-1H-isoindol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(2-methylpropan-2-yl)oxy]-1-[2-methyl-4-(3-pyrazol-1-ylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one.

What is the SMILES notation for 1-[4-[6-(dimethylamino)-5-methyl-3-pyridinyl]-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-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-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-ethyl-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-[2-methyl-4-(3-methyl-1H-isoindol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(2-methylpropan-2-yl)oxy]-1-[2-methyl-4-(3-pyrazol-1-ylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one?

The canonical SMILES for 1-[4-[6-(dimethylamino)-5-methyl-3-pyridinyl]-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-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-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-ethyl-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-[2-methyl-4-(3-methyl-1H-isoindol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(2-methylpropan-2-yl)oxy]-1-[2-methyl-4-(3-pyrazol-1-ylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one is CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc2c(c1)C(C)=NC2)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1cccc(-n2cccn2)c1)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1cccc(-n2nc(C)cc2C)c1)CCCC3.CC(=O)C(OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1cnc(N(C)C)c(C)c1)CCCC3.CCc1ccc(-c2c(C(OC(C)(C)C)C(C)=O)c(C)nc3sc4c(c23)CCCC4)c(O)c1.

What is the InChIKey of 1-[4-[6-(dimethylamino)-5-methyl-3-pyridinyl]-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-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-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-ethyl-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-[2-methyl-4-(3-methyl-1H-isoindol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(2-methylpropan-2-yl)oxy]-1-[2-methyl-4-(3-pyrazol-1-ylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one?

The InChIKey is SINUWNFUWVFEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2S.C28H31N3O2S.C28H32N2O2S.C27H35N3O2S.C27H33NO3S/c1-17-15-18(2)33(32-17)22-12-10-11-21(16-22)26-25(28(20(4)34)35-30(5,6)7)19(3)31-29-27(26)23-13-8-9-14-24(23)36-29;1-17-23(26(18(2)32)33-28(3,4)5)24(19-10-8-11-20(16-19)31-15-9-14-29-31)25-21-12-6-7-13-22(21)34-27(25)30-17;1-15-21-13-18(11-12-19(21)14-29-15)24-23(26(17(3)31)32-28(4,5)6)16(2)30-27-25(24)20-9-7-8-10-22(20)33-27;1-15-13-18(14-28-25(15)30(7)8)22-21(24(17(3)31)32-27(4,5)6)16(2)29-26-23(22)19-11-9-10-12-20(19)33-26;1-7-17-12-13-18(20(30)14-17)23-22(25(16(3)29)31-27(4,5)6)15(2)28-26-24(23)19-10-8-9-11-21(19)32-26/h10-12,15-16,28H,8-9,13-14H2,1-7H3;8-11,14-16,26H,6-7,12-13H2,1-5H3;11-13,26H,7-10,14H2,1-6H3;13-14,24H,9-12H2,1-8H3;12-14,25,30H,7-11H2,1-6H3.

What are the key properties of 1-[4-[6-(dimethylamino)-5-methyl-3-pyridinyl]-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-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-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-ethyl-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-[2-methyl-4-(3-methyl-1H-isoindol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(2-methylpropan-2-yl)oxy]-1-[2-methyl-4-(3-pyrazol-1-ylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one?

1-[4-[6-(dimethylamino)-5-methyl-3-pyridinyl]-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-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-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-ethyl-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-[2-methyl-4-(3-methyl-1H-isoindol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(2-methylpropan-2-yl)oxy]-1-[2-methyl-4-(3-pyrazol-1-ylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one has a molecular weight of 2353.28 g/mol, XLogP of 34.33, 24 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-(dimethylamino)-5-methyl-3-pyridinyl]-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-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-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-ethyl-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-[2-methyl-4-(3-methyl-1H-isoindol-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[(2-methylpropan-2-yl)oxy]-1-[2-methyl-4-(3-pyrazol-1-ylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one is sourced from PubChem (CID 160845137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).