1-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1-propan-2-ylpyrrol-2-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-5-yl)ethyl]benzoyl]phenyl]ethanone

C202H202FN15O18 — CID 157055820

IUPAC1-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1-propan-2-ylpyrrol-2-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-5-yl)ethyl]benzoyl]phenyl]ethanone
SMILESCC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5cccn5C(C)C)cc4)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5cccn5C)cc4)cc3)cc2F)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5ccn[nH]5)cc4)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5ccnn5C)cc4)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5cn[nH]c5)cc4)cc3)cc2)CC1.Cc1cc(N2CCC(C)CC2)ccc1C(=O)Cc1ccc(C(=O)c2ccc(CC(=O)c3cccn3C)cc2)cc1
InChIInChI=1S/C36H38N2O3.C35H36N2O3.C34H33FN2O3.C33H33N3O3.2C32H31N3O3/c1-25(2)38-20-4-5-33(38)35(40)24-28-8-12-31(13-9-28)36(41)30-10-6-27(7-11-30)23-34(39)29-14-16-32(17-15-29)37-21-18-26(3)19-22-37;1-24-16-19-37(20-17-24)30-14-15-31(25(2)21-30)33(38)22-26-6-10-28(11-7-26)35(40)29-12-8-27(9-13-29)23-34(39)32-5-4-18-36(32)3;1-23-15-18-37(19-16-23)30-14-13-28(22-29(30)35)32(38)20-24-5-9-26(10-6-24)34(40)27-11-7-25(8-12-27)21-33(39)31-4-3-17-36(31)2;1-23-16-19-36(20-17-23)29-13-11-26(12-14-29)31(37)21-24-3-7-27(8-4-24)33(39)28-9-5-25(6-10-28)22-32(38)30-15-18-34-35(30)2;1-22-15-18-35(19-16-22)28-12-10-25(11-13-28)30(36)20-23-2-6-26(7-3-23)32(38)27-8-4-24(5-9-27)21-31(37)29-14-17-33-34-29;1-22-14-16-35(17-15-22)29-12-10-25(11-13-29)30(36)18-23-2-6-26(7-3-23)32(38)27-8-4-24(5-9-27)19-31(37)28-20-33-34-21-28/h4-17,20,25-26H,18-19,21-24H2,1-3H3;4-15,18,21,24H,16-17,19-20,22-23H2,1-3H3;3-14,17,22-23H,15-16,18-21H2,1-2H3;3-15,18,23H,16-17,19-22H2,1-2H3;2-14,17,22H,15-16,18-21H2,1H3,(H,33,34);2-13,20-22H,14-19H2,1H3,(H,33,34)
InChIKeyAASYJHMNFQVQNE-UHFFFAOYSA-N
MW3146.92 g/mol
LogP37.71
Rot. Bonds55

About 1-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1-propan-2-ylpyrrol-2-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-5-yl)ethyl]benzoyl]phenyl]ethanone

1-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1-propan-2-ylpyrrol-2-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-5-yl)ethyl]benzoyl]phenyl]ethanone (PubChem CID 157055820) has the molecular formula C202H202FN15O18 and a molecular weight of 3146.92 g/mol. Its IUPAC name is 1-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1-propan-2-ylpyrrol-2-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-5-yl)ethyl]benzoyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1-propan-2-ylpyrrol-2-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-5-yl)ethyl]benzoyl]phenyl]ethanone
PubChem CID157055820
Molecular FormulaC202H202FN15O18
Molecular Weight3146.92 g/mol
Exact Mass3144.53
IUPAC Name1-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1-propan-2-ylpyrrol-2-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-5-yl)ethyl]benzoyl]phenyl]ethanone
SMILESCC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5cccn5C(C)C)cc4)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5cccn5C)cc4)cc3)cc2F)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5ccn[nH]5)cc4)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5ccnn5C)cc4)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5cn[nH]c5)cc4)cc3)cc2)CC1.Cc1cc(N2CCC(C)CC2)ccc1C(=O)Cc1ccc(C(=O)c2ccc(CC(=O)c3cccn3C)cc2)cc1
InChIInChI=1S/C36H38N2O3.C35H36N2O3.C34H33FN2O3.C33H33N3O3.2C32H31N3O3/c1-25(2)38-20-4-5-33(38)35(40)24-28-8-12-31(13-9-28)36(41)30-10-6-27(7-11-30)23-34(39)29-14-16-32(17-15-29)37-21-18-26(3)19-22-37;1-24-16-19-37(20-17-24)30-14-15-31(25(2)21-30)33(38)22-26-6-10-28(11-7-26)35(40)29-12-8-27(9-13-29)23-34(39)32-5-4-18-36(32)3;1-23-15-18-37(19-16-23)30-14-13-28(22-29(30)35)32(38)20-24-5-9-26(10-6-24)34(40)27-11-7-25(8-12-27)21-33(39)31-4-3-17-36(31)2;1-23-16-19-36(20-17-23)29-13-11-26(12-14-29)31(37)21-24-3-7-27(8-4-24)33(39)28-9-5-25(6-10-28)22-32(38)30-15-18-34-35(30)2;1-22-15-18-35(19-16-22)28-12-10-25(11-13-28)30(36)20-23-2-6-26(7-3-23)32(38)27-8-4-24(5-9-27)21-31(37)29-14-17-33-34-29;1-22-14-16-35(17-15-22)29-12-10-25(11-13-29)30(36)18-23-2-6-26(7-3-23)32(38)27-8-4-24(5-9-27)19-31(37)28-20-33-34-21-28/h4-17,20,25-26H,18-19,21-24H2,1-3H3;4-15,18,21,24H,16-17,19-20,22-23H2,1-3H3;3-14,17,22-23H,15-16,18-21H2,1-2H3;3-15,18,23H,16-17,19-22H2,1-2H3;2-14,17,22H,15-16,18-21H2,1H3,(H,33,34);2-13,20-22H,14-19H2,1H3,(H,33,34)
InChIKeyAASYJHMNFQVQNE-UHFFFAOYSA-N
XLogP37.71
TPSA416.67 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds55
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003146.92
LogP ≤ 537.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Analyze 1-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1-propan-2-ylpyrrol-2-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-5-yl)ethyl]benzoyl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(1S)-1-[(2-cyclopentyl-2-phenylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157206651
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentan-2-one;(4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(2R)-5-cyclopentyl-1-(3,5-difluorophenyl)-4-oxo-5-phenylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-1-[5-(trifluoromethyl)-1H-indol-3-yl]pentan-2-one;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-pyrrolo[3,2-c]pyridin-1-ylpentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157245939
5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[5,6-dimethyl-3-(trifluoromethyl)indazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[5,6-dimethyl-3-(trifluoromethyl)indazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157314839
1-[7-[(4-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1H-pyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinolin-2-yl]ethanone
CID 157427987
5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157579703
1-(2-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-3-yl)butane-1,4-dione;bis(1-(1H-indazol-3-yl)-4-(4-methylphenyl)butane-1,4-dione);1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;bis(1-(1H-indol-3-yl)-4-phenylbutane-1,4-dione)
CID 157629983
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-[3,5-bis(difluoromethyl)-4-methylpyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one;2-[5-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methylidene-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-methyl-2-oxo-3H-indol-4-yl)-2-pyridinyl]ethyl]acetamide
CID 157637374
2-(3-acetyl-2-methylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylindazol-1-yl)pentan-2-one;5-[2-[(1S)-1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157863488
N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane
CID 157961694
tris([3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-phenylmethanone);[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-pyridin-2-ylmethanone
CID 158382573
5-[2-[(1S)-1-[2-(3-acetylindazol-1-yl)butanoylamino]-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;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-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 159008446
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1-propan-2-ylpyrrol-2-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-5-yl)ethyl]benzoyl]phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1-propan-2-ylpyrrol-2-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-5-yl)ethyl]benzoyl]phenyl]ethanone (CID 157055820) is 1-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1-propan-2-ylpyrrol-2-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-5-yl)ethyl]benzoyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1-propan-2-ylpyrrol-2-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-5-yl)ethyl]benzoyl]phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1-propan-2-ylpyrrol-2-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-5-yl)ethyl]benzoyl]phenyl]ethanone is CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5cccn5C(C)C)cc4)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5cccn5C)cc4)cc3)cc2F)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5ccn[nH]5)cc4)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5ccnn5C)cc4)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(C(=O)c4ccc(CC(=O)c5cn[nH]c5)cc4)cc3)cc2)CC1.Cc1cc(N2CCC(C)CC2)ccc1C(=O)Cc1ccc(C(=O)c2ccc(CC(=O)c3cccn3C)cc2)cc1.
What is the InChIKey of 1-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1-propan-2-ylpyrrol-2-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-5-yl)ethyl]benzoyl]phenyl]ethanone?
The InChIKey is AASYJHMNFQVQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N2O3.C35H36N2O3.C34H33FN2O3.C33H33N3O3.2C32H31N3O3/c1-25(2)38-20-4-5-33(38)35(40)24-28-8-12-31(13-9-28)36(41)30-10-6-27(7-11-30)23-34(39)29-14-16-32(17-15-29)37-21-18-26(3)19-22-37;1-24-16-19-37(20-17-24)30-14-15-31(25(2)21-30)33(38)22-26-6-10-28(11-7-26)35(40)29-12-8-27(9-13-29)23-34(39)32-5-4-18-36(32)3;1-23-15-18-37(19-16-23)30-14-13-28(22-29(30)35)32(38)20-24-5-9-26(10-6-24)34(40)27-11-7-25(8-12-27)21-33(39)31-4-3-17-36(31)2;1-23-16-19-36(20-17-23)29-13-11-26(12-14-29)31(37)21-24-3-7-27(8-4-24)33(39)28-9-5-25(6-10-28)22-32(38)30-15-18-34-35(30)2;1-22-15-18-35(19-16-22)28-12-10-25(11-13-28)30(36)20-23-2-6-26(7-3-23)32(38)27-8-4-24(5-9-27)21-31(37)29-14-17-33-34-29;1-22-14-16-35(17-15-22)29-12-10-25(11-13-29)30(36)18-23-2-6-26(7-3-23)32(38)27-8-4-24(5-9-27)19-31(37)28-20-33-34-21-28/h4-17,20,25-26H,18-19,21-24H2,1-3H3;4-15,18,21,24H,16-17,19-20,22-23H2,1-3H3;3-14,17,22-23H,15-16,18-21H2,1-2H3;3-15,18,23H,16-17,19-22H2,1-2H3;2-14,17,22H,15-16,18-21H2,1H3,(H,33,34);2-13,20-22H,14-19H2,1H3,(H,33,34).
What are the key properties of 1-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1-propan-2-ylpyrrol-2-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-5-yl)ethyl]benzoyl]phenyl]ethanone?
1-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1-propan-2-ylpyrrol-2-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-5-yl)ethyl]benzoyl]phenyl]ethanone has a molecular weight of 3146.92 g/mol, XLogP of 37.71, 55 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[2-methyl-4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1-propan-2-ylpyrrol-2-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrazol-5-yl)ethyl]benzoyl]phenyl]ethanone is sourced from PubChem (CID 157055820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).