N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide

C179H194F3N29O19 — CID 162052425

IUPACN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCCc1ccc(-c2ccncc2)cc1C(=O)N[C@H](CO)c1cccc(C(=O)NCC2CCN(C)CC2)c1.C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)cc1)c1cccc(C(=O)NC2CCCC2)c1.Cc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](C)c1cccc(C(=O)NC2CCN(C)CC2)c1.Cc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)c(F)c2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2F)c1.O=C(NCc1cccc(F)c1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C30H36N4O3.C26H23FN4O3.C26H31N5O2.C25H28N4O3.2C24H25FN4O3.C24H26N4O2/c1-3-22-7-8-24(23-9-13-31-14-10-23)18-27(22)30(37)33-28(20-35)25-5-4-6-26(17-25)29(36)32-19-21-11-15-34(2)16-12-21;27-23-6-1-3-17(11-23)13-28-25(33)21-5-2-4-20(12-21)24(16-32)31-26(34)19-9-7-18(8-10-19)22-14-29-30-15-22;1-17-13-20(22-15-27-28-16-22)7-8-24(17)26(33)29-18(2)19-5-4-6-21(14-19)25(32)30-23-9-11-31(3)12-10-23;1-16-11-17(20-13-26-27-14-20)9-10-22(16)25(32)29-23(15-30)18-5-4-6-19(12-18)24(31)28-21-7-2-3-8-21;25-21-11-15(18-12-26-27-13-18)8-9-20(21)24(32)29-22(14-30)16-4-3-5-17(10-16)23(31)28-19-6-1-2-7-19;25-21-11-17(8-9-20(21)18-12-26-27-13-18)24(32)29-22(14-30)15-4-3-5-16(10-15)23(31)28-19-6-1-2-7-19;1-16(19-5-4-6-20(13-19)24(30)28-22-7-2-3-8-22)27-23(29)18-11-9-17(10-12-18)21-14-25-26-15-21/h4-10,13-14,17-18,21,28,35H,3,11-12,15-16,19-20H2,1-2H3,(H,32,36)(H,33,37);1-12,14-15,24,32H,13,16H2,(H,28,33)(H,29,30)(H,31,34);4-8,13-16,18,23H,9-12H2,1-3H3,(H,27,28)(H,29,33)(H,30,32);4-6,9-14,21,23,30H,2-3,7-8,15H2,1H3,(H,26,27)(H,28,31)(H,29,32);2*3-5,8-13,19,22,30H,1-2,6-7,14H2,(H,26,27)(H,28,31)(H,29,32);4-6,9-16,22H,2-3,7-8H2,1H3,(H,25,26)(H,27,29)(H,28,30)/t28-;24-;18-;23-;2*22-;16-/m1111111/s1
InChIKeyYYSIOTCBCQFLIR-FDAQKUEXSA-N
MW3112.70 g/mol
LogP25.62
Rot. Bonds50

About N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide

N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 162052425) has the molecular formula C179H194F3N29O19 and a molecular weight of 3112.70 g/mol. Its IUPAC name is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID162052425
Molecular FormulaC179H194F3N29O19
Molecular Weight3112.70 g/mol
Exact Mass3110.51
IUPAC NameN-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCCc1ccc(-c2ccncc2)cc1C(=O)N[C@H](CO)c1cccc(C(=O)NCC2CCN(C)CC2)c1.C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)cc1)c1cccc(C(=O)NC2CCCC2)c1.Cc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](C)c1cccc(C(=O)NC2CCN(C)CC2)c1.Cc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)c(F)c2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2F)c1.O=C(NCc1cccc(F)c1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1
InChIInChI=1S/C30H36N4O3.C26H23FN4O3.C26H31N5O2.C25H28N4O3.2C24H25FN4O3.C24H26N4O2/c1-3-22-7-8-24(23-9-13-31-14-10-23)18-27(22)30(37)33-28(20-35)25-5-4-6-26(17-25)29(36)32-19-21-11-15-34(2)16-12-21;27-23-6-1-3-17(11-23)13-28-25(33)21-5-2-4-20(12-21)24(16-32)31-26(34)19-9-7-18(8-10-19)22-14-29-30-15-22;1-17-13-20(22-15-27-28-16-22)7-8-24(17)26(33)29-18(2)19-5-4-6-21(14-19)25(32)30-23-9-11-31(3)12-10-23;1-16-11-17(20-13-26-27-14-20)9-10-22(16)25(32)29-23(15-30)18-5-4-6-19(12-18)24(31)28-21-7-2-3-8-21;25-21-11-15(18-12-26-27-13-18)8-9-20(21)24(32)29-22(14-30)16-4-3-5-17(10-16)23(31)28-19-6-1-2-7-19;25-21-11-17(8-9-20(21)18-12-26-27-13-18)24(32)29-22(14-30)15-4-3-5-16(10-15)23(31)28-19-6-1-2-7-19;1-16(19-5-4-6-20(13-19)24(30)28-22-7-2-3-8-22)27-23(29)18-11-9-17(10-12-18)21-14-25-26-15-21/h4-10,13-14,17-18,21,28,35H,3,11-12,15-16,19-20H2,1-2H3,(H,32,36)(H,33,37);1-12,14-15,24,32H,13,16H2,(H,28,33)(H,29,30)(H,31,34);4-8,13-16,18,23H,9-12H2,1-3H3,(H,27,28)(H,29,33)(H,30,32);4-6,9-14,21,23,30H,2-3,7-8,15H2,1H3,(H,26,27)(H,28,31)(H,29,32);2*3-5,8-13,19,22,30H,1-2,6-7,14H2,(H,26,27)(H,28,31)(H,29,32);4-6,9-16,22H,2-3,7-8H2,1H3,(H,25,26)(H,27,29)(H,28,30)/t28-;24-;18-;23-;2*22-;16-/m1111111/s1
InChIKeyYYSIOTCBCQFLIR-FDAQKUEXSA-N
XLogP25.62
TPSA700.00 Ų
H-Bond Donors25
H-Bond Acceptors28
Rotatable Bonds50
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003112.70
LogP ≤ 525.62
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1028

Analyze N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide with MolForge

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Related Compounds

4-(2-azaspiro[4.5]decan-2-yl)-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrrol-3-yl)propyl]benzamide;4-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-[2-(4-fluorophenyl)ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(4-fluorophenyl)ethynyl]-4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 162025307
4-[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-[3-(difluoromethyl)-5-fluorophenyl]-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-[3-(difluoromethyl)-5-fluorophenyl]-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzamide
CID 158380588
N-cyclohexyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-5-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-pyridin-4-ylbenzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane
CID 158735447
N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane
CID 159839792
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-ethyl-5-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-(methoxymethyl)-5-pyridin-4-ylbenzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide
CID 160594646
1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;1-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-[4-methyl-3-(1-methylpyrrol-3-yl)-1-phenylpyrazol-5-yl]propan-2-one;N-ethyl-4-[5-[3-[(1S,2R,4R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-phenylpyrazol-3-yl]benzamide;4-[5-[3-[(1S,2R)-4-(2-methoxyethyl)-2-phenylcyclopentyl]-2-oxopropyl]-1-methylpyrazol-3-yl]-N-methylbenzamide
CID 160829620
N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-2-hydroxy-1-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]ethyl]-3-(1H-pyrazol-5-yl)benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;sulfane
CID 160841729
N-cyclohexyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-pyridin-4-ylbenzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane
CID 160863748
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 160924471
N-cyclobutyl-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[methyl-(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-cyclopentyl-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(1S)-1-[3-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]-2-hydroxyethyl]-5-pyridin-4-ylpyridine-2-carboxamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-5-yl)benzoyl]amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-[(1-methylpiperidin-4-yl)methyl]-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;sulfane
CID 161184360
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 161211237
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]-N-[(1-methoxycyclopentyl)methyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 161432274

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide (CID 162052425) is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide is CCc1ccc(-c2ccncc2)cc1C(=O)N[C@H](CO)c1cccc(C(=O)NCC2CCN(C)CC2)c1.C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)cc1)c1cccc(C(=O)NC2CCCC2)c1.Cc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](C)c1cccc(C(=O)NC2CCN(C)CC2)c1.Cc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)c(F)c2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2F)c1.O=C(NCc1cccc(F)c1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2)c1.
What is the InChIKey of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is YYSIOTCBCQFLIR-FDAQKUEXSA-N. The full InChI is InChI=1S/C30H36N4O3.C26H23FN4O3.C26H31N5O2.C25H28N4O3.2C24H25FN4O3.C24H26N4O2/c1-3-22-7-8-24(23-9-13-31-14-10-23)18-27(22)30(37)33-28(20-35)25-5-4-6-26(17-25)29(36)32-19-21-11-15-34(2)16-12-21;27-23-6-1-3-17(11-23)13-28-25(33)21-5-2-4-20(12-21)24(16-32)31-26(34)19-9-7-18(8-10-19)22-14-29-30-15-22;1-17-13-20(22-15-27-28-16-22)7-8-24(17)26(33)29-18(2)19-5-4-6-21(14-19)25(32)30-23-9-11-31(3)12-10-23;1-16-11-17(20-13-26-27-14-20)9-10-22(16)25(32)29-23(15-30)18-5-4-6-19(12-18)24(31)28-21-7-2-3-8-21;25-21-11-15(18-12-26-27-13-18)8-9-20(21)24(32)29-22(14-30)16-4-3-5-17(10-16)23(31)28-19-6-1-2-7-19;25-21-11-17(8-9-20(21)18-12-26-27-13-18)24(32)29-22(14-30)15-4-3-5-16(10-15)23(31)28-19-6-1-2-7-19;1-16(19-5-4-6-20(13-19)24(30)28-22-7-2-3-8-22)27-23(29)18-11-9-17(10-12-18)21-14-25-26-15-21/h4-10,13-14,17-18,21,28,35H,3,11-12,15-16,19-20H2,1-2H3,(H,32,36)(H,33,37);1-12,14-15,24,32H,13,16H2,(H,28,33)(H,29,30)(H,31,34);4-8,13-16,18,23H,9-12H2,1-3H3,(H,27,28)(H,29,33)(H,30,32);4-6,9-14,21,23,30H,2-3,7-8,15H2,1H3,(H,26,27)(H,28,31)(H,29,32);2*3-5,8-13,19,22,30H,1-2,6-7,14H2,(H,26,27)(H,28,31)(H,29,32);4-6,9-16,22H,2-3,7-8H2,1H3,(H,25,26)(H,27,29)(H,28,30)/t28-;24-;18-;23-;2*22-;16-/m1111111/s1.
What are the key properties of N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide?
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 3112.70 g/mol, XLogP of 25.62, 50 rotatable bonds, 25 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-ethyl-N-[(1S)-2-hydroxy-1-[3-[(1-methylpiperidin-4-yl)methylcarbamoyl]phenyl]ethyl]-5-pyridin-4-ylbenzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 162052425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).