5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide

C149H132F26N24O10 — CID 161113619

IUPAC5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
SMILESCCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1nc(C(F)(F)F)c2c1CCCC2.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(C)n2ccc(C(F)(F)F)n2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(c2ccc(F)cc2)N(C)C)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)cc2C(F)F)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C)c(C)c2C)c1
InChIInChI=1S/C33H31F6N5O2.C31H28F4N4O2.C29H29F2N5O2.C28H21F8N5O2.C28H23F6N5O2/c1-3-27(44-28-9-5-4-7-23(28)30(43-44)33(37,38)39)32(46)42-26(15-18-13-20(34)17-21(35)14-18)29-22(8-6-12-41-29)19-10-11-25(36)24(16-19)31(45)40-2;1-36-30(40)25-16-20(8-11-26(25)35)24-5-4-12-37-28(24)27(15-18-13-22(33)17-23(34)14-18)38-31(41)29(39(2)3)19-6-9-21(32)10-7-19;1-17-18(2)35-36(19(17)3)16-27(37)34-26(13-20-11-23(30)15-24(31)12-20)28-25(9-6-10-33-28)21-7-5-8-22(14-21)29(38)32-4;1-37-27(43)19-10-15(4-5-20(19)31)18-3-2-6-38-25(18)21(9-14-7-16(29)11-17(30)8-14)39-24(42)13-41-22(26(32)33)12-23(40-41)28(34,35)36;1-15(39-9-7-24(38-39)28(32,33)34)26(40)37-23(12-16-10-18(29)14-19(30)11-16)25-20(4-3-8-36-25)17-5-6-22(31)21(13-17)27(41)35-2/h6,8,10-14,16-17,26-27H,3-5,7,9,15H2,1-2H3,(H,40,45)(H,42,46);4-14,16-17,27,29H,15H2,1-3H3,(H,36,40)(H,38,41);5-12,14-15,26H,13,16H2,1-4H3,(H,32,38)(H,34,37);2-8,10-12,21,26H,9,13H2,1H3,(H,37,43)(H,39,42);3-11,13-15,23H,12H2,1-2H3,(H,35,41)(H,37,40)/t26-,27?;27-,29?;26-;21-;15?,23-/m00000/s1
InChIKeyUKAFUIQNGZKIAY-WPOHLNBISA-N
MW2912.80 g/mol
LogP27.83
Rot. Bonds43

About 5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide

5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide (PubChem CID 161113619) has the molecular formula C149H132F26N24O10 and a molecular weight of 2912.80 g/mol. Its IUPAC name is 5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
PubChem CID161113619
Molecular FormulaC149H132F26N24O10
Molecular Weight2912.80 g/mol
Exact Mass2911.01
IUPAC Name5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
SMILESCCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1nc(C(F)(F)F)c2c1CCCC2.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(C)n2ccc(C(F)(F)F)n2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(c2ccc(F)cc2)N(C)C)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)cc2C(F)F)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C)c(C)c2C)c1
InChIInChI=1S/C33H31F6N5O2.C31H28F4N4O2.C29H29F2N5O2.C28H21F8N5O2.C28H23F6N5O2/c1-3-27(44-28-9-5-4-7-23(28)30(43-44)33(37,38)39)32(46)42-26(15-18-13-20(34)17-21(35)14-18)29-22(8-6-12-41-29)19-10-11-25(36)24(16-19)31(45)40-2;1-36-30(40)25-16-20(8-11-26(25)35)24-5-4-12-37-28(24)27(15-18-13-22(33)17-23(34)14-18)38-31(41)29(39(2)3)19-6-9-21(32)10-7-19;1-17-18(2)35-36(19(17)3)16-27(37)34-26(13-20-11-23(30)15-24(31)12-20)28-25(9-6-10-33-28)21-7-5-8-22(14-21)29(38)32-4;1-37-27(43)19-10-15(4-5-20(19)31)18-3-2-6-38-25(18)21(9-14-7-16(29)11-17(30)8-14)39-24(42)13-41-22(26(32)33)12-23(40-41)28(34,35)36;1-15(39-9-7-24(38-39)28(32,33)34)26(40)37-23(12-16-10-18(29)14-19(30)11-16)25-20(4-3-8-36-25)17-5-6-22(31)21(13-17)27(41)35-2/h6,8,10-14,16-17,26-27H,3-5,7,9,15H2,1-2H3,(H,40,45)(H,42,46);4-14,16-17,27,29H,15H2,1-3H3,(H,36,40)(H,38,41);5-12,14-15,26H,13,16H2,1-4H3,(H,32,38)(H,34,37);2-8,10-12,21,26H,9,13H2,1H3,(H,37,43)(H,39,42);3-11,13-15,23H,12H2,1-2H3,(H,35,41)(H,37,40)/t26-,27?;27-,29?;26-;21-;15?,23-/m00000/s1
InChIKeyUKAFUIQNGZKIAY-WPOHLNBISA-N
XLogP27.83
TPSA429.97 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds43
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002912.80
LogP ≤ 527.83
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze 5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide with MolForge

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Related Compounds

2,2''-((3R,3''R,6R,6''R)-(((2R,2''R)-isophthaloylbis(2-methylpiperazine-4,1-diyl))bis(methylene)) bis(3-methylpiperazine-6,1-diyl))bis(1-(6-(4-fluorobenzyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)ethan-1-one)
CID 177895612
N-[(3R)-1-[2-(dimethylamino)-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-yl]-3-pyridin-4-yl-1-tritylindazole-5-carboxamide
CID 67996347
5-[2-[2-(3,5-Difluorophenyl)-1-[[2-(4,5,6,7-tetrahydroindazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71184935
(S)-5-(2-(2-(3,5-difluorophenyl)-1-(2-(4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)ethyl)pyridin-3-yl)-2-fluorobenzamide
CID 71184936
N-cyclopropyl-3-[2-[2-(3,5-difluorophenyl)-2-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 71185061
5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyridin-3-yl]-2-fluorobenzamide
CID 71185372
(S)-2-fluoro-5-(2-(2-(3-fluorophenyl)-1-(2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)ethyl)pyridin-3-yl)benzamide
CID 71186861
2-Fluoro-5-[2-[2-(3-fluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]pyridin-3-yl]benzamide
CID 71186862
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-yl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 71187041
N-[2-(3,5-difluorophenyl)-1-[3-[3-(morpholine-4-carbonyl)phenyl]-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 71187042
(S)-5-(2-(1-(2-(3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)-2-(3,5-difluorophenyl)ethyl)pyridin-3-yl)-2-fluorobenzamide
CID 71187095
5-[2-[1-[[2-[3-(Difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71187096

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide?
The IUPAC name of 5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-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 161113619) is 5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide.
What is the SMILES notation for 5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide?
The canonical SMILES for 5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide is CCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1nc(C(F)(F)F)c2c1CCCC2.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(C)n2ccc(C(F)(F)F)n2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(c2ccc(F)cc2)N(C)C)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)cc2C(F)F)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C)c(C)c2C)c1.
What is the InChIKey of 5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide?
The InChIKey is UKAFUIQNGZKIAY-WPOHLNBISA-N. The full InChI is InChI=1S/C33H31F6N5O2.C31H28F4N4O2.C29H29F2N5O2.C28H21F8N5O2.C28H23F6N5O2/c1-3-27(44-28-9-5-4-7-23(28)30(43-44)33(37,38)39)32(46)42-26(15-18-13-20(34)17-21(35)14-18)29-22(8-6-12-41-29)19-10-11-25(36)24(16-19)31(45)40-2;1-36-30(40)25-16-20(8-11-26(25)35)24-5-4-12-37-28(24)27(15-18-13-22(33)17-23(34)14-18)38-31(41)29(39(2)3)19-6-9-21(32)10-7-19;1-17-18(2)35-36(19(17)3)16-27(37)34-26(13-20-11-23(30)15-24(31)12-20)28-25(9-6-10-33-28)21-7-5-8-22(14-21)29(38)32-4;1-37-27(43)19-10-15(4-5-20(19)31)18-3-2-6-38-25(18)21(9-14-7-16(29)11-17(30)8-14)39-24(42)13-41-22(26(32)33)12-23(40-41)28(34,35)36;1-15(39-9-7-24(38-39)28(32,33)34)26(40)37-23(12-16-10-18(29)14-19(30)11-16)25-20(4-3-8-36-25)17-5-6-22(31)21(13-17)27(41)35-2/h6,8,10-14,16-17,26-27H,3-5,7,9,15H2,1-2H3,(H,40,45)(H,42,46);4-14,16-17,27,29H,15H2,1-3H3,(H,36,40)(H,38,41);5-12,14-15,26H,13,16H2,1-4H3,(H,32,38)(H,34,37);2-8,10-12,21,26H,9,13H2,1H3,(H,37,43)(H,39,42);3-11,13-15,23H,12H2,1-2H3,(H,35,41)(H,37,40)/t26-,27?;27-,29?;26-;21-;15?,23-/m00000/s1.
What are the key properties of 5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide?
5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide has a molecular weight of 2912.80 g/mol, XLogP of 27.83, 43 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide is sourced from PubChem (CID 161113619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).