1-[(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone

C108H110F12N14O12 — CID 162166611

IUPAC1-[(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CCC(c2ccc(OC(c3ccccc3F)C(F)(F)F)cn2)N1.CC(=O)C1CCC(c2ccc(OCc3ccccc3F)cn2)N1.CC(=O)C1CCC(c2cnc(OCc3ccccc3F)nc2)N1.CC(=O)[C@@H]1CC[C@H](c2ccc(OC(c3ccccc3F)C(F)(F)F)cn2)N1.CC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cn2)N1.CC(=O)[C@@H]1CC[C@H](c2cnc(OCc3ccccc3F)nc2)N1
InChIInChI=1S/2C19H18F4N2O2.2C18H19FN2O2.2C17H18FN3O2/c2*1-11(26)15-8-9-17(25-15)16-7-6-12(10-24-16)27-18(19(21,22)23)13-4-2-3-5-14(13)20;2*1-12(22)16-8-9-18(21-16)17-7-6-14(10-20-17)23-11-13-4-2-3-5-15(13)19;2*1-11(22)15-6-7-16(21-15)13-8-19-17(20-9-13)23-10-12-4-2-3-5-14(12)18/h2*2-7,10,15,17-18,25H,8-9H2,1H3;2*2-7,10,16,18,21H,8-9,11H2,1H3;2*2-5,8-9,15-16,21H,6-7,10H2,1H3/t15-,17+,18?;;16-,18+;;15-,16+;/m0.0.0./s1
InChIKeyZNFHUEOKIQMFFE-AHDGVWTQSA-N
MW2024.13 g/mol
LogP20.09
Rot. Bonds30

About 1-[(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone

1-[(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone (PubChem CID 162166611) has the molecular formula C108H110F12N14O12 and a molecular weight of 2024.13 g/mol. Its IUPAC name is 1-[(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone
PubChem CID162166611
Molecular FormulaC108H110F12N14O12
Molecular Weight2024.13 g/mol
Exact Mass2022.82
IUPAC Name1-[(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CCC(c2ccc(OC(c3ccccc3F)C(F)(F)F)cn2)N1.CC(=O)C1CCC(c2ccc(OCc3ccccc3F)cn2)N1.CC(=O)C1CCC(c2cnc(OCc3ccccc3F)nc2)N1.CC(=O)[C@@H]1CC[C@H](c2ccc(OC(c3ccccc3F)C(F)(F)F)cn2)N1.CC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cn2)N1.CC(=O)[C@@H]1CC[C@H](c2cnc(OCc3ccccc3F)nc2)N1
InChIInChI=1S/2C19H18F4N2O2.2C18H19FN2O2.2C17H18FN3O2/c2*1-11(26)15-8-9-17(25-15)16-7-6-12(10-24-16)27-18(19(21,22)23)13-4-2-3-5-14(13)20;2*1-12(22)16-8-9-18(21-16)17-7-6-14(10-20-17)23-11-13-4-2-3-5-15(13)19;2*1-11(22)15-6-7-16(21-15)13-8-19-17(20-9-13)23-10-12-4-2-3-5-14(12)18/h2*2-7,10,15,17-18,25H,8-9H2,1H3;2*2-7,10,16,18,21H,8-9,11H2,1H3;2*2-5,8-9,15-16,21H,6-7,10H2,1H3/t15-,17+,18?;;16-,18+;;15-,16+;/m0.0.0./s1
InChIKeyZNFHUEOKIQMFFE-AHDGVWTQSA-N
XLogP20.09
TPSA333.10 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002024.13
LogP ≤ 520.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 1-[(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone with MolForge

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Related Compounds

1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;3-[5-(difluoromethoxy)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;1-[(2S,4R,5S)-1-(3,4-difluorophenyl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]propan-1-one;(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 157409032
2-[[6-[3-[4-(1,1-Difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;1-[(3,4-dimethoxyphenyl)methyl]-4-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrrolo[2,3-b]pyridine;7-[(3,4-dimethoxyphenyl)methyl]-4-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine;methyl 2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetate
CID 157507223
N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide;N-[[2-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;4,5-dimethyl-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide;5-ethyl-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide;N-[[2-[5-[[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 157830429
3-[2-cyclopropyl-6-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-[2-cyclopropyl-6-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methoxy]pyrimidin-4-yl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]-2-pyridinyl]propan-1-one
CID 157959282
1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(4-methoxyphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[8-amino-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one
CID 158171983
N-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine
CID 158299826
2-[[6-[2-[4-(1,1-Difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone
CID 158373840
N-ethyl-4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
CID 158456098
3-[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-[2-cyclopropyl-6-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-(2,2,2-trifluoroethoxy)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[2-(2,2,2-trifluoroethoxy)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]propan-1-one
CID 158500910
3-[5-(difluoromethoxy)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[6-[3-(trifluoromethoxy)azetidin-1-yl]pyrimidin-4-yl]propan-1-one;(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 158558438
[5-(3-acetyl-4-fluorophenyl)-6-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]-2-pyridinyl] acetate;1-[5-(3-acetyl-4-fluorophenyl)-4-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]pyrimidin-2-yl]piperidin-4-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethylamino]pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one
CID 158882932
4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(4-methoxyoxan-4-yl)ethyl]pyrimidine;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine;5-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-N,N-dimethyloxolane-2-carboxamide;1-[6-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol
CID 159058206

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone (CID 162166611) is 1-[(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone is CC(=O)C1CCC(c2ccc(OC(c3ccccc3F)C(F)(F)F)cn2)N1.CC(=O)C1CCC(c2ccc(OCc3ccccc3F)cn2)N1.CC(=O)C1CCC(c2cnc(OCc3ccccc3F)nc2)N1.CC(=O)[C@@H]1CC[C@H](c2ccc(OC(c3ccccc3F)C(F)(F)F)cn2)N1.CC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cn2)N1.CC(=O)[C@@H]1CC[C@H](c2cnc(OCc3ccccc3F)nc2)N1.
What is the InChIKey of 1-[(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone?
The InChIKey is ZNFHUEOKIQMFFE-AHDGVWTQSA-N. The full InChI is InChI=1S/2C19H18F4N2O2.2C18H19FN2O2.2C17H18FN3O2/c2*1-11(26)15-8-9-17(25-15)16-7-6-12(10-24-16)27-18(19(21,22)23)13-4-2-3-5-14(13)20;2*1-12(22)16-8-9-18(21-16)17-7-6-14(10-20-17)23-11-13-4-2-3-5-15(13)19;2*1-11(22)15-6-7-16(21-15)13-8-19-17(20-9-13)23-10-12-4-2-3-5-14(12)18/h2*2-7,10,15,17-18,25H,8-9H2,1H3;2*2-7,10,16,18,21H,8-9,11H2,1H3;2*2-5,8-9,15-16,21H,6-7,10H2,1H3/t15-,17+,18?;;16-,18+;;15-,16+;/m0.0.0./s1.
What are the key properties of 1-[(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone?
1-[(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone has a molecular weight of 2024.13 g/mol, XLogP of 20.09, 30 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidin-2-yl]ethanone;1-[(2S,5R)-5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone;1-[5-[5-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]-2-pyridinyl]pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 162166611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).