1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone

C138H150F6N24O12S6 — CID 159708586

IUPAC1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
SMILESCC(=O)N1Cc2ccc(O[C@@H]3C[C@@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)nc2C1.CC(=O)N1Cc2ccc(O[C@@H]3C[C@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)nc2C1.CC(=O)N1Cc2ccc(O[C@H]3C[C@@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)nc2C1.CC(=O)N1Cc2ccc(O[C@H]3C[C@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)nc2C1.CC(=O)N1Cc2cnc(O[C@@H]3C[C@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)cc2C1.CC(=O)N1Cc2cnc(O[C@H]3C[C@@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)cc2C1
InChIInChI=1S/6C23H25FN4O2S/c2*1-13-4-19(30-23-6-16-9-28(15(3)29)11-18(16)8-25-23)12-27(13)10-17-5-21-22(7-20(17)24)31-14(2)26-21;4*1-13-6-18(30-23-5-4-16-9-28(15(3)29)12-21(16)26-23)11-27(13)10-17-7-20-22(8-19(17)24)31-14(2)25-20/h2*5-8,13,19H,4,9-12H2,1-3H3;4*4-5,7-8,13,18H,6,9-12H2,1-3H3/t2*13-,19+;2*13-,18+;2*13-,18-/m101010/s1
InChIKeyMYNRYEDYVMAIPV-KIIDQWBOSA-N
MW2643.26 g/mol
LogP24.26
Rot. Bonds24

About 1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone

1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone (PubChem CID 159708586) has the molecular formula C138H150F6N24O12S6 and a molecular weight of 2643.26 g/mol. Its IUPAC name is 1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
PubChem CID159708586
Molecular FormulaC138H150F6N24O12S6
Molecular Weight2643.26 g/mol
Exact Mass2641.01
IUPAC Name1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
SMILESCC(=O)N1Cc2ccc(O[C@@H]3C[C@@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)nc2C1.CC(=O)N1Cc2ccc(O[C@@H]3C[C@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)nc2C1.CC(=O)N1Cc2ccc(O[C@H]3C[C@@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)nc2C1.CC(=O)N1Cc2ccc(O[C@H]3C[C@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)nc2C1.CC(=O)N1Cc2cnc(O[C@@H]3C[C@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)cc2C1.CC(=O)N1Cc2cnc(O[C@H]3C[C@@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)cc2C1
InChIInChI=1S/6C23H25FN4O2S/c2*1-13-4-19(30-23-6-16-9-28(15(3)29)11-18(16)8-25-23)12-27(13)10-17-5-21-22(7-20(17)24)31-14(2)26-21;4*1-13-6-18(30-23-5-4-16-9-28(15(3)29)12-21(16)26-23)11-27(13)10-17-7-20-22(8-19(17)24)31-14(2)25-20/h2*5-8,13,19H,4,9-12H2,1-3H3;4*4-5,7-8,13,18H,6,9-12H2,1-3H3/t2*13-,19+;2*13-,18+;2*13-,18-/m101010/s1
InChIKeyMYNRYEDYVMAIPV-KIIDQWBOSA-N
XLogP24.26
TPSA351.36 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds24
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002643.26
LogP ≤ 524.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone with MolForge

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Related Compounds

US10752632, Example 3
CID 146444632
1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
CID 153466863
1-[6-[(3R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
CID 155277423
2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;1-(2-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;1-[2-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;1-[2-[(3R,5S)-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;dihydrochloride
CID 157202165
7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-(5-fluoro-6-methoxy-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-5-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-5-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 158294047
6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;1-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;1-[6-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;methane;1-[6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;dihydrochloride
CID 158613177
6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;1-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;1-[6-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;dihydrochloride
CID 158967206
2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;1-(2-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;1-[2-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;dihydrochloride
CID 158988742
3-bromo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;1-(3-bromo-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;1-[3-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[3-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[3-[(3R,5S)-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;dihydrochloride
CID 159026529
1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
CID 160236372
3-bromo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;1-(3-bromo-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone;1-[3-[(3R,5S)-1,5-dimethylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[3-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;1-[3-[(3R,5S)-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;dihydrochloride
CID 160281231
1-[2-[(3R,5S)-1-[(1S)-1-(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)ethyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(1S)-1-(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)ethyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone;1-[3-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[3-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
CID 161995323

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
The IUPAC name of 1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone (CID 159708586) is 1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
The canonical SMILES for 1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone is CC(=O)N1Cc2ccc(O[C@@H]3C[C@@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)nc2C1.CC(=O)N1Cc2ccc(O[C@@H]3C[C@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)nc2C1.CC(=O)N1Cc2ccc(O[C@H]3C[C@@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)nc2C1.CC(=O)N1Cc2ccc(O[C@H]3C[C@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)nc2C1.CC(=O)N1Cc2cnc(O[C@@H]3C[C@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)cc2C1.CC(=O)N1Cc2cnc(O[C@H]3C[C@@H](C)N(Cc4cc5nc(C)sc5cc4F)C3)cc2C1.
What is the InChIKey of 1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
The InChIKey is MYNRYEDYVMAIPV-KIIDQWBOSA-N. The full InChI is InChI=1S/6C23H25FN4O2S/c2*1-13-4-19(30-23-6-16-9-28(15(3)29)11-18(16)8-25-23)12-27(13)10-17-5-21-22(7-20(17)24)31-14(2)26-21;4*1-13-6-18(30-23-5-4-16-9-28(15(3)29)12-21(16)26-23)11-27(13)10-17-7-20-22(8-19(17)24)31-14(2)25-20/h2*5-8,13,19H,4,9-12H2,1-3H3;4*4-5,7-8,13,18H,6,9-12H2,1-3H3/t2*13-,19+;2*13-,18+;2*13-,18-/m101010/s1.
What are the key properties of 1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone has a molecular weight of 2643.26 g/mol, XLogP of 24.26, 24 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3S,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[2-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;1-[6-[(3S,5R)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]oxy-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone is sourced from PubChem (CID 159708586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).