2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[[5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-2-pyridinyl]amino]phenyl]ethanone;2-[4-[[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]-2-pyridinyl]amino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone

C196H207F3N22O12 — CID 162204484

IUPAC2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[[5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-2-pyridinyl]amino]phenyl]ethanone;2-[4-[[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]-2-pyridinyl]amino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCC1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5ccn(C)c5)cc4)nc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5ccn(C)c5)cn4)cc3)cc2)CC1.Cc1c[nH]cc1C(=O)Cc1ccc(Nc2ccc(CC(=O)c3ccc(N4CCC(C)CC4)cc3)cc2)c(F)c1.Cc1cc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)c(F)c2)c[nH]1.Cc1nn(C)cc1C(=O)Cc1ccc(Nc2ccc(CC(=O)c3ccc(N4CCC(C)CC4)cc3)cc2)c(F)c1.Cc1nn(C)cc1C(=O)Cc1ccc(Nc2ccc(CC(=O)c3ccc(N4CCC(C)CC4)cc3)cc2)cc1
InChIInChI=1S/C33H35FN4O2.2C33H34FN3O2.C33H36N4O2.2C32H34N4O2/c1-22-14-16-38(17-15-22)28-11-7-26(8-12-28)32(39)19-24-4-9-27(10-5-24)35-31-13-6-25(18-30(31)34)20-33(40)29-21-37(3)36-23(29)2;1-22-13-15-37(16-14-22)28-10-6-26(7-11-28)32(38)18-24-3-8-27(9-4-24)36-31-12-5-25(17-30(31)34)19-33(39)29-21-35-20-23(29)2;1-22-13-15-37(16-14-22)29-10-6-26(7-11-29)32(38)19-24-3-8-28(9-4-24)36-31-12-5-25(18-30(31)34)20-33(39)27-17-23(2)35-21-27;1-23-16-18-37(19-17-23)30-14-8-27(9-15-30)32(38)20-25-4-10-28(11-5-25)34-29-12-6-26(7-13-29)21-33(39)31-22-36(3)35-24(31)2;1-23-13-17-36(18-14-23)29-10-6-26(7-11-29)30(37)20-25-5-12-32(33-21-25)34-28-8-3-24(4-9-28)19-31(38)27-15-16-35(2)22-27;1-23-13-17-36(18-14-23)29-10-6-26(7-11-29)30(37)19-24-3-8-28(9-4-24)34-32-12-5-25(21-33-32)20-31(38)27-15-16-35(2)22-27/h4-13,18,21-22,35H,14-17,19-20H2,1-3H3;3-12,17,20-22,35-36H,13-16,18-19H2,1-2H3;3-12,17-18,21-22,35-36H,13-16,19-20H2,1-2H3;4-15,22-23,34H,16-21H2,1-3H3;2*3-12,15-16,21-23H,13-14,17-20H2,1-2H3,(H,33,34)
InChIKeyZRZYIMHKTRVEBI-UHFFFAOYSA-N
MW3119.95 g/mol
LogP40.34
Rot. Bonds54

About 2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[[5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-2-pyridinyl]amino]phenyl]ethanone;2-[4-[[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]-2-pyridinyl]amino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone

2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[[5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-2-pyridinyl]amino]phenyl]ethanone;2-[4-[[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]-2-pyridinyl]amino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 162204484) has the molecular formula C196H207F3N22O12 and a molecular weight of 3119.95 g/mol. Its IUPAC name is 2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[[5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-2-pyridinyl]amino]phenyl]ethanone;2-[4-[[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]-2-pyridinyl]amino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[[5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-2-pyridinyl]amino]phenyl]ethanone;2-[4-[[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]-2-pyridinyl]amino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID162204484
Molecular FormulaC196H207F3N22O12
Molecular Weight3119.95 g/mol
Exact Mass3117.62
IUPAC Name2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[[5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-2-pyridinyl]amino]phenyl]ethanone;2-[4-[[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]-2-pyridinyl]amino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCC1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5ccn(C)c5)cc4)nc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5ccn(C)c5)cn4)cc3)cc2)CC1.Cc1c[nH]cc1C(=O)Cc1ccc(Nc2ccc(CC(=O)c3ccc(N4CCC(C)CC4)cc3)cc2)c(F)c1.Cc1cc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)c(F)c2)c[nH]1.Cc1nn(C)cc1C(=O)Cc1ccc(Nc2ccc(CC(=O)c3ccc(N4CCC(C)CC4)cc3)cc2)c(F)c1.Cc1nn(C)cc1C(=O)Cc1ccc(Nc2ccc(CC(=O)c3ccc(N4CCC(C)CC4)cc3)cc2)cc1
InChIInChI=1S/C33H35FN4O2.2C33H34FN3O2.C33H36N4O2.2C32H34N4O2/c1-22-14-16-38(17-15-22)28-11-7-26(8-12-28)32(39)19-24-4-9-27(10-5-24)35-31-13-6-25(18-30(31)34)20-33(40)29-21-37(3)36-23(29)2;1-22-13-15-37(16-14-22)28-10-6-26(7-11-28)32(38)18-24-3-8-27(9-4-24)36-31-12-5-25(17-30(31)34)19-33(39)29-21-35-20-23(29)2;1-22-13-15-37(16-14-22)29-10-6-26(7-11-29)32(38)19-24-3-8-28(9-4-24)36-31-12-5-25(18-30(31)34)20-33(39)27-17-23(2)35-21-27;1-23-16-18-37(19-17-23)30-14-8-27(9-15-30)32(38)20-25-4-10-28(11-5-25)34-29-12-6-26(7-13-29)21-33(39)31-22-36(3)35-24(31)2;1-23-13-17-36(18-14-23)29-10-6-26(7-11-29)30(37)20-25-5-12-32(33-21-25)34-28-8-3-24(4-9-28)19-31(38)27-15-16-35(2)22-27;1-23-13-17-36(18-14-23)29-10-6-26(7-11-29)30(37)19-24-3-8-28(9-4-24)34-32-12-5-25(21-33-32)20-31(38)27-15-16-35(2)22-27/h4-13,18,21-22,35H,14-17,19-20H2,1-3H3;3-12,17,20-22,35-36H,13-16,18-19H2,1-2H3;3-12,17-18,21-22,35-36H,13-16,19-20H2,1-2H3;4-15,22-23,34H,16-21H2,1-3H3;2*3-12,15-16,21-23H,13-14,17-20H2,1-2H3,(H,33,34)
InChIKeyZRZYIMHKTRVEBI-UHFFFAOYSA-N
XLogP40.34
TPSA399.32 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds54
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003119.95
LogP ≤ 540.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze 2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[[5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-2-pyridinyl]amino]phenyl]ethanone;2-[4-[[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]-2-pyridinyl]amino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone with MolForge

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Related Compounds

N-benzyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-cyclohexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-hexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(3-phenylpropyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 157141744
5-(5-amino-3-pyridinyl)-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethoxyethane
CID 157154090
3-[1-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]phenyl]propan-1-one;1H-pyrrolo[2,3-b]pyridine
CID 157188339
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-5-[4-(dimethylamino)phenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(1-propan-2-ylpyrazol-4-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 157303524
3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide;sulfane
CID 157371522
1-[1-(2,2-Dimethylpropyl)-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-2-fluoro-5-(2-methylpyrimidin-5-yl)indol-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-2-methyl-5-(2-methylpyrimidin-5-yl)indol-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-3-yl]-2,2,2-trifluoroethanone
CID 157553292
N-cyclohexyl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(cyclopropylmethyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-methyl-4-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(piperidin-4-ylmethyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157817601
1-[1-(2,2-Dimethylpropyl)-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-7-methyl-5-(2-methylpyrimidin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-5-(2-methylpyrimidin-5-yl)indazol-3-yl]-2,2,2-trifluoroethanone;1-[1-(2,2-dimethylpropyl)-5-(2-methylpyrimidin-5-yl)indol-3-yl]-2,2,2-trifluoroethanone;1-[1-(2,2-dimethylpropyl)-5-(2-methylpyrimidin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]-2,2,2-trifluoroethanone
CID 157925707
2,6-difluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]-2-pyridinyl]benzamide;N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide;N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-methylbenzamide;2-fluoro-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-methyl-N-[5-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 157943421
1-[1-(2,2-Dimethylpropyl)-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-2-fluoro-5-(2-methylpyrimidin-5-yl)indol-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-2-methyl-5-(2-methylpyrimidin-5-yl)indol-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-5-(2-methylpyrimidin-5-yl)indazol-3-yl]-2,2,2-trifluoroethanone;1-[1-(2,2-dimethylpropyl)-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-3-yl]-2,2,2-trifluoroethanone
CID 157971119
1,5-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]indole-3-carboxamide;1,5-dimethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]indole-3-carboxamide;2-(5-fluoro-3-pyridinyl)-1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanone;1-[1-(2-hydroxyethyl)-5-methylindol-3-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone;1-[1-methyl-5-(1-methylpyrazol-4-yl)indol-3-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone;1-[1-methyl-5-(trifluoromethyl)indol-3-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
CID 158078160
4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]-2-methylpyridine;4-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyrimidine;5-[(2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-imidazole;2-[4-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]acetonitrile;1-[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]ethanone;[2-fluoro-3-[1H-imidazol-5-yl(pyridin-4-yl)methyl]phenyl]-phenylmethanone;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[1H-imidazol-5-yl(phenyl)methyl]pyridine;4-[1H-imidazol-5-yl(pyridin-4-yl)methyl]-N,N-dimethylaniline
CID 158117309

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[[5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-2-pyridinyl]amino]phenyl]ethanone;2-[4-[[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]-2-pyridinyl]amino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[[5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-2-pyridinyl]amino]phenyl]ethanone;2-[4-[[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]-2-pyridinyl]amino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone (CID 162204484) is 2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[[5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-2-pyridinyl]amino]phenyl]ethanone;2-[4-[[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]-2-pyridinyl]amino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[[5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-2-pyridinyl]amino]phenyl]ethanone;2-[4-[[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]-2-pyridinyl]amino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[[5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-2-pyridinyl]amino]phenyl]ethanone;2-[4-[[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]-2-pyridinyl]amino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone is CC1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5ccn(C)c5)cc4)nc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5ccn(C)c5)cn4)cc3)cc2)CC1.Cc1c[nH]cc1C(=O)Cc1ccc(Nc2ccc(CC(=O)c3ccc(N4CCC(C)CC4)cc3)cc2)c(F)c1.Cc1cc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)c(F)c2)c[nH]1.Cc1nn(C)cc1C(=O)Cc1ccc(Nc2ccc(CC(=O)c3ccc(N4CCC(C)CC4)cc3)cc2)c(F)c1.Cc1nn(C)cc1C(=O)Cc1ccc(Nc2ccc(CC(=O)c3ccc(N4CCC(C)CC4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[[5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-2-pyridinyl]amino]phenyl]ethanone;2-[4-[[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]-2-pyridinyl]amino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is ZRZYIMHKTRVEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN4O2.2C33H34FN3O2.C33H36N4O2.2C32H34N4O2/c1-22-14-16-38(17-15-22)28-11-7-26(8-12-28)32(39)19-24-4-9-27(10-5-24)35-31-13-6-25(18-30(31)34)20-33(40)29-21-37(3)36-23(29)2;1-22-13-15-37(16-14-22)28-10-6-26(7-11-28)32(38)18-24-3-8-27(9-4-24)36-31-12-5-25(17-30(31)34)19-33(39)29-21-35-20-23(29)2;1-22-13-15-37(16-14-22)29-10-6-26(7-11-29)32(38)19-24-3-8-28(9-4-24)36-31-12-5-25(18-30(31)34)20-33(39)27-17-23(2)35-21-27;1-23-16-18-37(19-17-23)30-14-8-27(9-15-30)32(38)20-25-4-10-28(11-5-25)34-29-12-6-26(7-13-29)21-33(39)31-22-36(3)35-24(31)2;1-23-13-17-36(18-14-23)29-10-6-26(7-11-29)30(37)20-25-5-12-32(33-21-25)34-28-8-3-24(4-9-28)19-31(38)27-15-16-35(2)22-27;1-23-13-17-36(18-14-23)29-10-6-26(7-11-29)30(37)19-24-3-8-28(9-4-24)34-32-12-5-25(21-33-32)20-31(38)27-15-16-35(2)22-27/h4-13,18,21-22,35H,14-17,19-20H2,1-3H3;3-12,17,20-22,35-36H,13-16,18-19H2,1-2H3;3-12,17-18,21-22,35-36H,13-16,19-20H2,1-2H3;4-15,22-23,34H,16-21H2,1-3H3;2*3-12,15-16,21-23H,13-14,17-20H2,1-2H3,(H,33,34).
What are the key properties of 2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[[5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-2-pyridinyl]amino]phenyl]ethanone;2-[4-[[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]-2-pyridinyl]amino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone?
2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[[5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-2-pyridinyl]amino]phenyl]ethanone;2-[4-[[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]-2-pyridinyl]amino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 3119.95 g/mol, XLogP of 40.34, 54 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-2-fluoroanilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[2-fluoro-4-[2-(5-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[[5-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-2-pyridinyl]amino]phenyl]ethanone;2-[4-[[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]-2-pyridinyl]amino]phenyl]-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 162204484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).