1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C161H149F24N25O9 — CID 160680315

IUPAC1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)nn1.Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.Cc1cnc2cc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)[nH]c2c1.Cn1cc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2ncccc21.O=C(c1cc2ncc(-n3ccnc3)cc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cccnc1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nc2ccccc2o1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nc2ncccc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H20F3N5O.3C21H20F3N3O.C20H17F3N2O2.C19H17F3N4O.C18H18F3N3O.C18H17F3N2O/c24-23(25,26)18-4-2-1-3-17(18)15-5-8-30(9-6-15)22(32)21-12-19-20(29-21)11-16(13-28-19)31-10-7-27-14-31;1-26-13-16(19-18(26)7-4-10-25-19)20(28)27-11-8-14(9-12-27)15-5-2-3-6-17(15)21(22,23)24;1-13-10-18-17(25-12-13)11-19(26-18)20(28)27-8-6-14(7-9-27)15-4-2-3-5-16(15)21(22,23)24;1-13-6-7-17-18(25-13)12-19(26-17)20(28)27-10-8-14(9-11-27)15-4-2-3-5-16(15)21(22,23)24;21-20(22,23)15-6-2-1-5-14(15)13-9-11-25(12-10-13)19(26)18-24-16-7-3-4-8-17(16)27-18;20-19(21,22)14-5-2-1-4-13(14)12-7-10-26(11-8-12)18(27)17-24-15-6-3-9-23-16(15)25-17;1-12-6-7-16(23-22-12)17(25)24-10-8-13(9-11-24)14-4-2-3-5-15(14)18(19,20)21;19-18(20,21)16-6-2-1-5-15(16)13-7-10-23(11-8-13)17(24)14-4-3-9-22-12-14/h1-4,7,10-15,29H,5-6,8-9H2;2-7,10,13-14H,8-9,11-12H2,1H3;2-5,10-12,14,26H,6-9H2,1H3;2-7,12,14,26H,8-11H2,1H3;1-8,13H,9-12H2;1-6,9,12H,7-8,10-11H2,(H,23,24,25);2-7,13H,8-11H2,1H3;1-6,9,12-13H,7-8,10-11H2
InChIKeyROBCGKAQFSGXCU-UHFFFAOYSA-N
MW3034.08 g/mol
LogP36.03
Rot. Bonds17

About 1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 160680315) has the molecular formula C161H149F24N25O9 and a molecular weight of 3034.08 g/mol. Its IUPAC name is 1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID160680315
Molecular FormulaC161H149F24N25O9
Molecular Weight3034.08 g/mol
Exact Mass3032.16
IUPAC Name1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)nn1.Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.Cc1cnc2cc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)[nH]c2c1.Cn1cc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2ncccc21.O=C(c1cc2ncc(-n3ccnc3)cc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cccnc1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nc2ccccc2o1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nc2ncccc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H20F3N5O.3C21H20F3N3O.C20H17F3N2O2.C19H17F3N4O.C18H18F3N3O.C18H17F3N2O/c24-23(25,26)18-4-2-1-3-17(18)15-5-8-30(9-6-15)22(32)21-12-19-20(29-21)11-16(13-28-19)31-10-7-27-14-31;1-26-13-16(19-18(26)7-4-10-25-19)20(28)27-11-8-14(9-12-27)15-5-2-3-6-17(15)21(22,23)24;1-13-10-18-17(25-12-13)11-19(26-18)20(28)27-8-6-14(7-9-27)15-4-2-3-5-16(15)21(22,23)24;1-13-6-7-17-18(25-13)12-19(26-17)20(28)27-10-8-14(9-11-27)15-4-2-3-5-16(15)21(22,23)24;21-20(22,23)15-6-2-1-5-14(15)13-9-11-25(12-10-13)19(26)18-24-16-7-3-4-8-17(16)27-18;20-19(21,22)14-5-2-1-4-13(14)12-7-10-26(11-8-12)18(27)17-24-15-6-3-9-23-16(15)25-17;1-12-6-7-16(23-22-12)17(25)24-10-8-13(9-11-24)14-4-2-3-5-15(14)18(19,20)21;19-18(20,21)16-6-2-1-5-15(16)13-7-10-23(11-8-13)17(24)14-4-3-9-22-12-14/h1-4,7,10-15,29H,5-6,8-9H2;2-7,10,13-14H,8-9,11-12H2,1H3;2-5,10-12,14,26H,6-9H2,1H3;2-7,12,14,26H,8-11H2,1H3;1-8,13H,9-12H2;1-6,9,12H,7-8,10-11H2,(H,23,24,25);2-7,13H,8-11H2,1H3;1-6,9,12-13H,7-8,10-11H2
InChIKeyROBCGKAQFSGXCU-UHFFFAOYSA-N
XLogP36.03
TPSA390.43 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003034.08
LogP ≤ 536.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-[4-[[2-[(1,3-Benzoxazol-2-ylamino)methyl]-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]methyl]pyrimidin-2-yl]-4-methylphenyl]-[2-[[(6-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]methanone
CID 123179954
2-[cyclopentyl(methyl)amino]-N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(4-methoxyphenyl)-1-[4-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone;2-[6-[4-[2-(2-methylphenyl)ethyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2,4,6-trimethylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone
CID 123736329
[2-[[(5-Fluoro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[2-[4-[1-[5-fluoro-2-(triazol-2-yl)benzoyl]-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-4-yl]pyrimidin-2-yl]-5-methylphenyl]methanone
CID 123937600
6-[7-(difluoromethyl)-1-[6-(methylcarbamoylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]-2-[6-[8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-2-(methylcarbamoyl)quinolin-5-yl]-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1,3-benzoxazole-4-carboxamide
CID 132181505
[2-[4-[[(2S,3S)-2-[(1,3-benzoxazol-2-ylamino)methyl]-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]methyl]pyrimidin-2-yl]-4-methylphenyl]-[(2S,3R)-2-[[(6-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]methanone
CID 144903062
N-[3-[(5-tert-butylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[[2-(1H-indol-3-yl)acetyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrazole-5-carbonylamino)propyl]-1H-pyrazole-5-carboxamide;N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 157055832
[(2S,3R)-3-(1,3-benzoxazol-2-ylamino)-2-methylpiperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
CID 157063478
N-[6-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[(2S)-4-[(2-fluorophenyl)carbamoyl]-2-methylpiperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[(3R)-4-[(2-fluorophenyl)carbamoyl]-3-methylpiperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[5-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-2-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[(3R)-1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 157066680
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone;(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157093503
(3-Ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157197432
(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-[(3R)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 157242209
2-(1,1-difluoroethyl)-3H-benzo[e]benzimidazole-4,5-dione;2-[(4-fluorophenoxy)methyl]-3-methylbenzo[e]benzimidazole-4,5-dione;2-propan-2-yl-3-(pyridin-2-ylmethyl)benzo[e]benzimidazole-4,5-dione;2-propan-2-yl-3-(pyridin-3-ylmethyl)benzo[e]benzimidazole-4,5-dione;2-propan-2-yl-3-(pyridin-4-ylmethyl)benzo[e]benzimidazole-4,5-dione
CID 157637136

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 160680315) is 1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)nn1.Cc1ccc2[nH]c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cc2n1.Cc1cnc2cc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)[nH]c2c1.Cn1cc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2ncccc21.O=C(c1cc2ncc(-n3ccnc3)cc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1cccnc1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nc2ccccc2o1)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nc2ncccc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is ROBCGKAQFSGXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O.3C21H20F3N3O.C20H17F3N2O2.C19H17F3N4O.C18H18F3N3O.C18H17F3N2O/c24-23(25,26)18-4-2-1-3-17(18)15-5-8-30(9-6-15)22(32)21-12-19-20(29-21)11-16(13-28-19)31-10-7-27-14-31;1-26-13-16(19-18(26)7-4-10-25-19)20(28)27-11-8-14(9-12-27)15-5-2-3-6-17(15)21(22,23)24;1-13-10-18-17(25-12-13)11-19(26-18)20(28)27-8-6-14(7-9-27)15-4-2-3-5-16(15)21(22,23)24;1-13-6-7-17-18(25-13)12-19(26-17)20(28)27-10-8-14(9-11-27)15-4-2-3-5-16(15)21(22,23)24;21-20(22,23)15-6-2-1-5-14(15)13-9-11-25(12-10-13)19(26)18-24-16-7-3-4-8-17(16)27-18;20-19(21,22)14-5-2-1-4-13(14)12-7-10-26(11-8-12)18(27)17-24-15-6-3-9-23-16(15)25-17;1-12-6-7-16(23-22-12)17(25)24-10-8-13(9-11-24)14-4-2-3-5-15(14)18(19,20)21;19-18(20,21)16-6-2-1-5-15(16)13-7-10-23(11-8-13)17(24)14-4-3-9-22-12-14/h1-4,7,10-15,29H,5-6,8-9H2;2-7,10,13-14H,8-9,11-12H2,1H3;2-5,10-12,14,26H,6-9H2,1H3;2-7,12,14,26H,8-11H2,1H3;1-8,13H,9-12H2;1-6,9,12H,7-8,10-11H2,(H,23,24,25);2-7,13H,8-11H2,1H3;1-6,9,12-13H,7-8,10-11H2.
What are the key properties of 1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 3034.08 g/mol, XLogP of 36.03, 17 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-imidazol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylpyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylpyrrolo[3,2-b]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 160680315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).