2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-(1-ethylpyrrol-2-yl)-2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone

C200H210F4N18O12 — CID 159031230

IUPAC2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-(1-ethylpyrrol-2-yl)-2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone
SMILESCC1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5cc[nH]c5)cc4F)cc3)cc2)CC1.CCn1cccc1C(=O)Cc1ccc(Nc2ccc(CC(=O)c3ccc(N4CCC(C)CC4)cc3)cc2F)cc1.Cc1ccc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)c(F)c2)[nH]1.Cc1ccc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)c(F)c2)n1C.Cc1ccc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)cc2)[nH]1.Cc1ccc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)cc2)n1C
InChIInChI=1S/2C34H36FN3O2.C34H37N3O2.C33H34FN3O2.C33H35N3O2.C32H32FN3O2/c1-23-16-18-38(19-17-23)29-12-8-27(9-13-29)33(39)21-25-5-10-28(11-6-25)36-31-14-7-26(20-30(31)35)22-34(40)32-15-4-24(2)37(32)3;1-3-37-18-4-5-32(37)34(40)22-25-6-11-28(12-7-25)36-31-15-8-26(21-30(31)35)23-33(39)27-9-13-29(14-10-27)38-19-16-24(2)17-20-38;1-24-18-20-37(21-19-24)31-15-9-28(10-16-31)33(38)22-26-5-11-29(12-6-26)35-30-13-7-27(8-14-30)23-34(39)32-17-4-25(2)36(32)3;1-22-15-17-37(18-16-22)28-11-7-26(8-12-28)32(38)20-24-4-9-27(10-5-24)36-30-14-6-25(19-29(30)34)21-33(39)31-13-3-23(2)35-31;1-23-17-19-36(20-18-23)30-14-8-27(9-15-30)32(37)21-25-4-10-28(11-5-25)35-29-12-6-26(7-13-29)22-33(38)31-16-3-24(2)34-31;1-22-13-16-36(17-14-22)28-9-5-25(6-10-28)31(37)19-23-2-7-27(8-3-23)35-30-11-4-24(18-29(30)33)20-32(38)26-12-15-34-21-26/h4-15,20,23,36H,16-19,21-22H2,1-3H3;4-15,18,21,24,36H,3,16-17,19-20,22-23H2,1-2H3;4-17,24,35H,18-23H2,1-3H3;3-14,19,22,35-36H,15-18,20-21H2,1-2H3;3-16,23,34-35H,17-22H2,1-2H3;2-12,15,18,21-22,34-35H,13-14,16-17,19-20H2,1H3
InChIKeyJUXIMBFDMNGRGD-UHFFFAOYSA-N
MW3133.99 g/mol
LogP43.38
Rot. Bonds55

About 2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-(1-ethylpyrrol-2-yl)-2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone

2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-(1-ethylpyrrol-2-yl)-2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone (PubChem CID 159031230) has the molecular formula C200H210F4N18O12 and a molecular weight of 3133.99 g/mol. Its IUPAC name is 2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-(1-ethylpyrrol-2-yl)-2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone.

Molecular Properties

Compound Name2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-(1-ethylpyrrol-2-yl)-2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone
PubChem CID159031230
Molecular FormulaC200H210F4N18O12
Molecular Weight3133.99 g/mol
Exact Mass3131.63
IUPAC Name2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-(1-ethylpyrrol-2-yl)-2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone
SMILESCC1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5cc[nH]c5)cc4F)cc3)cc2)CC1.CCn1cccc1C(=O)Cc1ccc(Nc2ccc(CC(=O)c3ccc(N4CCC(C)CC4)cc3)cc2F)cc1.Cc1ccc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)c(F)c2)[nH]1.Cc1ccc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)c(F)c2)n1C.Cc1ccc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)cc2)[nH]1.Cc1ccc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)cc2)n1C
InChIInChI=1S/2C34H36FN3O2.C34H37N3O2.C33H34FN3O2.C33H35N3O2.C32H32FN3O2/c1-23-16-18-38(19-17-23)29-12-8-27(9-13-29)33(39)21-25-5-10-28(11-6-25)36-31-14-7-26(20-30(31)35)22-34(40)32-15-4-24(2)37(32)3;1-3-37-18-4-5-32(37)34(40)22-25-6-11-28(12-7-25)36-31-15-8-26(21-30(31)35)23-33(39)27-9-13-29(14-10-27)38-19-16-24(2)17-20-38;1-24-18-20-37(21-19-24)31-15-9-28(10-16-31)33(38)22-26-5-11-29(12-6-26)35-30-13-7-27(8-14-30)23-34(39)32-17-4-25(2)36(32)3;1-22-15-17-37(18-16-22)28-11-7-26(8-12-28)32(38)20-24-4-9-27(10-5-24)36-30-14-6-25(19-29(30)34)21-33(39)31-13-3-23(2)35-31;1-23-17-19-36(20-18-23)30-14-8-27(9-15-30)32(37)21-25-4-10-28(11-5-25)35-29-12-6-26(7-13-29)22-33(38)31-16-3-24(2)34-31;1-22-13-16-36(17-14-22)28-9-5-25(6-10-28)31(37)19-23-2-7-27(8-3-23)35-30-11-4-24(18-29(30)33)20-32(38)26-12-15-34-21-26/h4-15,20,23,36H,16-19,21-22H2,1-3H3;4-15,18,21,24,36H,3,16-17,19-20,22-23H2,1-2H3;4-17,24,35H,18-23H2,1-3H3;3-14,19,22,35-36H,15-18,20-21H2,1-2H3;3-16,23,34-35H,17-22H2,1-2H3;2-12,15,18,21-22,34-35H,13-14,16-17,19-20H2,1H3
InChIKeyJUXIMBFDMNGRGD-UHFFFAOYSA-N
XLogP43.38
TPSA358.62 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds55
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003133.99
LogP ≤ 543.38
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze 2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-(1-ethylpyrrol-2-yl)-2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone with MolForge

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Related Compounds

2-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-fluorophenyl)methyl]-1H-pyrrol-3-yl]-1-[5-[[5-[2-[3-acetyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-fluorophenyl)methyl]-4-methyl-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 123712840
(4R)-1-[5-(aminomethyl)-3H-inden-1-yl]-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157264500
5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(3-acetylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-1-[[2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157268135
bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one
CID 158252746
2,2-difluoropropanoic acid;(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tris(2,2,2-trifluoroacetic acid)
CID 158500869
(7S)-N-[3-amino-2-(methyliminomethyl)prop-2-enyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-piperidin-1-ylethyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-propanoylcyclohexyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(pyridin-2-ylmethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 158855925
8-[5-(2,6-Dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
CID 159114917
bis(2,2-difluoropropanoic acid);(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;(4S)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 159552301
(4R)-4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-[(2R)-4-(1H-indol-2-yl)-2-methyl-4-oxobutyl]-2,8-diazaspiro[4.5]decan-1-one;(4R)-4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;4-(4-fluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-2,8-diazaspiro[4.5]decan-1-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 159562075
N-benzyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(3,3-diphenylpropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-hexyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-methyl-N-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-pyridin-4-yl-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 159682919
5-[2-[(1-ethyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-[(5-methyl-2-adamantyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;1-(2-fluoroethyl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(3-methyl-1-adamantyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-trimethyl-5-[2-[(5-methyl-2-adamantyl)amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(6-fluoro-3-pyridinyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide
CID 161415410
5-[2-(tert-butylamino)-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(3,3-difluoro-2-methylbutan-2-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(1-ethylcyclopropyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1-methyl-5-(2-oxopropanoyl)pyrrole-3-carboxamide;bis(N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]pyrrole-3-carboxamide)
CID 161872811

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-(1-ethylpyrrol-2-yl)-2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone?
The IUPAC name of 2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-(1-ethylpyrrol-2-yl)-2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone (CID 159031230) is 2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-(1-ethylpyrrol-2-yl)-2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone.
What is the SMILES notation for 2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-(1-ethylpyrrol-2-yl)-2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone?
The canonical SMILES for 2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-(1-ethylpyrrol-2-yl)-2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone is CC1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5cc[nH]c5)cc4F)cc3)cc2)CC1.CCn1cccc1C(=O)Cc1ccc(Nc2ccc(CC(=O)c3ccc(N4CCC(C)CC4)cc3)cc2F)cc1.Cc1ccc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)c(F)c2)[nH]1.Cc1ccc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)c(F)c2)n1C.Cc1ccc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)cc2)[nH]1.Cc1ccc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)cc2)n1C.
What is the InChIKey of 2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-(1-ethylpyrrol-2-yl)-2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone?
The InChIKey is JUXIMBFDMNGRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H36FN3O2.C34H37N3O2.C33H34FN3O2.C33H35N3O2.C32H32FN3O2/c1-23-16-18-38(19-17-23)29-12-8-27(9-13-29)33(39)21-25-5-10-28(11-6-25)36-31-14-7-26(20-30(31)35)22-34(40)32-15-4-24(2)37(32)3;1-3-37-18-4-5-32(37)34(40)22-25-6-11-28(12-7-25)36-31-15-8-26(21-30(31)35)23-33(39)27-9-13-29(14-10-27)38-19-16-24(2)17-20-38;1-24-18-20-37(21-19-24)31-15-9-28(10-16-31)33(38)22-26-5-11-29(12-6-26)35-30-13-7-27(8-14-30)23-34(39)32-17-4-25(2)36(32)3;1-22-15-17-37(18-16-22)28-11-7-26(8-12-28)32(38)20-24-4-9-27(10-5-24)36-30-14-6-25(19-29(30)34)21-33(39)31-13-3-23(2)35-31;1-23-17-19-36(20-18-23)30-14-8-27(9-15-30)32(37)21-25-4-10-28(11-5-25)35-29-12-6-26(7-13-29)22-33(38)31-16-3-24(2)34-31;1-22-13-16-36(17-14-22)28-9-5-25(6-10-28)31(37)19-23-2-7-27(8-3-23)35-30-11-4-24(18-29(30)33)20-32(38)26-12-15-34-21-26/h4-15,20,23,36H,16-19,21-22H2,1-3H3;4-15,18,21,24,36H,3,16-17,19-20,22-23H2,1-2H3;4-17,24,35H,18-23H2,1-3H3;3-14,19,22,35-36H,15-18,20-21H2,1-2H3;3-16,23,34-35H,17-22H2,1-2H3;2-12,15,18,21-22,34-35H,13-14,16-17,19-20H2,1H3.
What are the key properties of 2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-(1-ethylpyrrol-2-yl)-2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone?
2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-(1-ethylpyrrol-2-yl)-2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone has a molecular weight of 3133.99 g/mol, XLogP of 43.38, 55 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,5-dimethylpyrrol-2-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-(1-ethylpyrrol-2-yl)-2-[4-[2-fluoro-4-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]anilino]phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(5-methyl-1H-pyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone is sourced from PubChem (CID 159031230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).