3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(3-methoxyazetidine-1-carbonyl)-5-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C157H137F21N24O13 — CID 162179257

IUPAC3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(3-methoxyazetidine-1-carbonyl)-5-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1ccc(C(F)(F)F)n1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c3c(c4ccccc42)C(=O)CCC3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2cc(C(F)(F)F)cn2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(=O)N3CC(OC)C3)cc2C(C)C)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(C)cc3cc(F)ccc32)c1
InChIInChI=1S/C35H29F3N4O3.C34H35F3N6O4.C32H27F3N4O2.C29H25F6N5O2.C27H21F6N5O2/c1-39-35(45)26-17-21(11-12-27(26)38)24-7-5-13-40-34(24)28(16-20-14-22(36)18-23(37)15-20)41-32(44)19-42-29-8-3-2-6-25(29)33-30(42)9-4-10-31(33)43;1-19(2)30-15-29(34(46)42-16-24(17-42)47-4)41-43(30)18-31(44)40-28(12-20-10-22(35)14-23(36)11-20)32-25(6-5-9-39-32)21-7-8-27(37)26(13-21)33(45)38-3;1-19-11-23-16-24(33)8-9-29(23)39(19)18-30(40)38-28(14-20-12-25(34)17-26(35)13-20)31-27(7-4-10-37-31)21-5-3-6-22(15-21)32(41)36-2;1-3-24(40-10-8-25(39-40)29(33,34)35)28(42)38-23(13-16-11-18(30)15-19(31)12-16)26-20(5-4-9-37-26)17-6-7-22(32)21(14-17)27(41)36-2;1-34-26(40)21-10-16(4-5-22(21)30)20-3-2-6-35-25(20)23(9-15-7-18(28)11-19(29)8-15)37-24(39)14-38-13-17(12-36-38)27(31,32)33/h2-3,5-8,11-15,17-18,28H,4,9-10,16,19H2,1H3,(H,39,45)(H,41,44);5-11,13-15,19,24,28H,12,16-18H2,1-4H3,(H,38,45)(H,40,44);3-13,15-17,28H,14,18H2,1-2H3,(H,36,41)(H,38,40);4-12,14-15,23-24H,3,13H2,1-2H3,(H,36,41)(H,38,42);2-8,10-13,23H,9,14H2,1H3,(H,34,40)(H,37,39)/t3*28-;23-,24?;23-/m00000/s1
InChIKeyZOUKVRVQWSLJLJ-XYVVMKNVSA-N
MW2966.94 g/mol
LogP27.04
Rot. Bonds44

About 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(3-methoxyazetidine-1-carbonyl)-5-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(3-methoxyazetidine-1-carbonyl)-5-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 162179257) has the molecular formula C157H137F21N24O13 and a molecular weight of 2966.94 g/mol. Its IUPAC name is 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(3-methoxyazetidine-1-carbonyl)-5-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(3-methoxyazetidine-1-carbonyl)-5-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
PubChem CID162179257
Molecular FormulaC157H137F21N24O13
Molecular Weight2966.94 g/mol
Exact Mass2965.05
IUPAC Name3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(3-methoxyazetidine-1-carbonyl)-5-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1ccc(C(F)(F)F)n1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c3c(c4ccccc42)C(=O)CCC3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2cc(C(F)(F)F)cn2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(=O)N3CC(OC)C3)cc2C(C)C)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(C)cc3cc(F)ccc32)c1
InChIInChI=1S/C35H29F3N4O3.C34H35F3N6O4.C32H27F3N4O2.C29H25F6N5O2.C27H21F6N5O2/c1-39-35(45)26-17-21(11-12-27(26)38)24-7-5-13-40-34(24)28(16-20-14-22(36)18-23(37)15-20)41-32(44)19-42-29-8-3-2-6-25(29)33-30(42)9-4-10-31(33)43;1-19(2)30-15-29(34(46)42-16-24(17-42)47-4)41-43(30)18-31(44)40-28(12-20-10-22(35)14-23(36)11-20)32-25(6-5-9-39-32)21-7-8-27(37)26(13-21)33(45)38-3;1-19-11-23-16-24(33)8-9-29(23)39(19)18-30(40)38-28(14-20-12-25(34)17-26(35)13-20)31-27(7-4-10-37-31)21-5-3-6-22(15-21)32(41)36-2;1-3-24(40-10-8-25(39-40)29(33,34)35)28(42)38-23(13-16-11-18(30)15-19(31)12-16)26-20(5-4-9-37-26)17-6-7-22(32)21(14-17)27(41)36-2;1-34-26(40)21-10-16(4-5-22(21)30)20-3-2-6-35-25(20)23(9-15-7-18(28)11-19(29)8-15)37-24(39)14-38-13-17(12-36-38)27(31,32)33/h2-3,5-8,11-15,17-18,28H,4,9-10,16,19H2,1H3,(H,39,45)(H,41,44);5-11,13-15,19,24,28H,12,16-18H2,1-4H3,(H,38,45)(H,40,44);3-13,15-17,28H,14,18H2,1-2H3,(H,36,41)(H,38,40);4-12,14-15,23-24H,3,13H2,1-2H3,(H,36,41)(H,38,42);2-8,10-13,23H,9,14H2,1H3,(H,34,40)(H,37,39)/t3*28-;23-,24?;23-/m00000/s1
InChIKeyZOUKVRVQWSLJLJ-XYVVMKNVSA-N
XLogP27.04
TPSA465.38 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds44
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002966.94
LogP ≤ 527.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(3-methoxyazetidine-1-carbonyl)-5-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide with MolForge

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Related Compounds

Orn-0829 hydrate
CID 154572855
2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methyl-1-oxo-3H-isoindol-5-yl)-2-pyridinyl]ethyl]propanamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 157076869
7-[(3,3-Difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-ethylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;4-(1-propan-2-ylpyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 157085775
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157147381
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
CID 157157559
5-(5-amino-3-pyridinyl)-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 157165576
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157168849
(4R)-4-[3-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-indazol-1-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide
CID 157181828
3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[(2R,4R)-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[(2S,4S)-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[(2S,4S)-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157196442
(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
5H-cyclopenta[b]pyridin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-morpholin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157236811
(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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(3-methoxyazetidine-1-carbonyl)-5-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(3-methoxyazetidine-1-carbonyl)-5-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 162179257) is 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(3-methoxyazetidine-1-carbonyl)-5-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(3-methoxyazetidine-1-carbonyl)-5-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(3-methoxyazetidine-1-carbonyl)-5-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is CCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1ccc(C(F)(F)F)n1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c3c(c4ccccc42)C(=O)CCC3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2cc(C(F)(F)F)cn2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(=O)N3CC(OC)C3)cc2C(C)C)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(C)cc3cc(F)ccc32)c1.
What is the InChIKey of 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(3-methoxyazetidine-1-carbonyl)-5-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The InChIKey is ZOUKVRVQWSLJLJ-XYVVMKNVSA-N. The full InChI is InChI=1S/C35H29F3N4O3.C34H35F3N6O4.C32H27F3N4O2.C29H25F6N5O2.C27H21F6N5O2/c1-39-35(45)26-17-21(11-12-27(26)38)24-7-5-13-40-34(24)28(16-20-14-22(36)18-23(37)15-20)41-32(44)19-42-29-8-3-2-6-25(29)33-30(42)9-4-10-31(33)43;1-19(2)30-15-29(34(46)42-16-24(17-42)47-4)41-43(30)18-31(44)40-28(12-20-10-22(35)14-23(36)11-20)32-25(6-5-9-39-32)21-7-8-27(37)26(13-21)33(45)38-3;1-19-11-23-16-24(33)8-9-29(23)39(19)18-30(40)38-28(14-20-12-25(34)17-26(35)13-20)31-27(7-4-10-37-31)21-5-3-6-22(15-21)32(41)36-2;1-3-24(40-10-8-25(39-40)29(33,34)35)28(42)38-23(13-16-11-18(30)15-19(31)12-16)26-20(5-4-9-37-26)17-6-7-22(32)21(14-17)27(41)36-2;1-34-26(40)21-10-16(4-5-22(21)30)20-3-2-6-35-25(20)23(9-15-7-18(28)11-19(29)8-15)37-24(39)14-38-13-17(12-36-38)27(31,32)33/h2-3,5-8,11-15,17-18,28H,4,9-10,16,19H2,1H3,(H,39,45)(H,41,44);5-11,13-15,19,24,28H,12,16-18H2,1-4H3,(H,38,45)(H,40,44);3-13,15-17,28H,14,18H2,1-2H3,(H,36,41)(H,38,40);4-12,14-15,23-24H,3,13H2,1-2H3,(H,36,41)(H,38,42);2-8,10-13,23H,9,14H2,1H3,(H,34,40)(H,37,39)/t3*28-;23-,24?;23-/m00000/s1.
What are the key properties of 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(3-methoxyazetidine-1-carbonyl)-5-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(3-methoxyazetidine-1-carbonyl)-5-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 2966.94 g/mol, XLogP of 27.04, 44 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(3-methoxyazetidine-1-carbonyl)-5-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 162179257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).