3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C155H128F19N19O11 — CID 160775542

IUPAC3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=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)Cc2ccccc2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3ccc(C(F)(F)F)cc32)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cc(C)c(O)cc23)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cc(F)c(F)cc32)c1
InChIInChI=1S/C32H24F6N4O2.C32H28F2N4O3.C31H24F4N4O2.C31H28F4N4O2.C29H24F3N3O2/c1-39-31(44)25-14-20(5-7-26(25)35)24-3-2-9-40-30(24)27(13-18-11-22(33)16-23(34)12-18)41-29(43)17-42-10-8-19-4-6-21(15-28(19)42)32(36,37)38;1-18-9-27-26(16-29(18)39)22(17-37-27)14-30(40)38-28(12-19-10-23(33)15-24(34)11-19)31-25(7-4-8-36-31)20-5-3-6-21(13-20)32(41)35-2;1-36-31(41)21-5-2-4-19(13-21)24-6-3-8-37-30(24)27(12-18-10-22(32)15-23(33)11-18)38-29(40)17-39-9-7-20-14-25(34)26(35)16-28(20)39;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;1-33-29(37)24-16-20(9-10-25(24)32)23-8-5-11-34-28(23)26(14-19-12-21(30)17-22(31)13-19)35-27(36)15-18-6-3-2-4-7-18/h2-12,14-16,27H,13,17H2,1H3,(H,39,44)(H,41,43);3-11,13,15-17,28,37,39H,12,14H2,1-2H3,(H,35,41)(H,38,40);2-11,13-16,27H,12,17H2,1H3,(H,36,41)(H,38,40);4-14,16-17,27,29H,15H2,1-3H3,(H,36,40)(H,38,41);2-13,16-17,26H,14-15H2,1H3,(H,33,37)(H,35,36)/t27-;28-;27-;27-,29?;26-/m00000/s1
InChIKeyRZWWLTWDLXJCJN-VLWROYGKSA-N
MW2793.81 g/mol
LogP28.38
Rot. Bonds41

About 3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 160775542) has the molecular formula C155H128F19N19O11 and a molecular weight of 2793.81 g/mol. Its IUPAC name is 3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
PubChem CID160775542
Molecular FormulaC155H128F19N19O11
Molecular Weight2793.81 g/mol
Exact Mass2791.97
IUPAC Name3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=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)Cc2ccccc2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3ccc(C(F)(F)F)cc32)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cc(C)c(O)cc23)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cc(F)c(F)cc32)c1
InChIInChI=1S/C32H24F6N4O2.C32H28F2N4O3.C31H24F4N4O2.C31H28F4N4O2.C29H24F3N3O2/c1-39-31(44)25-14-20(5-7-26(25)35)24-3-2-9-40-30(24)27(13-18-11-22(33)16-23(34)12-18)41-29(43)17-42-10-8-19-4-6-21(15-28(19)42)32(36,37)38;1-18-9-27-26(16-29(18)39)22(17-37-27)14-30(40)38-28(12-19-10-23(33)15-24(34)11-19)31-25(7-4-8-36-31)20-5-3-6-21(13-20)32(41)35-2;1-36-31(41)21-5-2-4-19(13-21)24-6-3-8-37-30(24)27(12-18-10-22(32)15-23(33)11-18)38-29(40)17-39-9-7-20-14-25(34)26(35)16-28(20)39;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;1-33-29(37)24-16-20(9-10-25(24)32)23-8-5-11-34-28(23)26(14-19-12-21(30)17-22(31)13-19)35-27(36)15-18-6-3-2-4-7-18/h2-12,14-16,27H,13,17H2,1H3,(H,39,44)(H,41,43);3-11,13,15-17,28,37,39H,12,14H2,1-2H3,(H,35,41)(H,38,40);2-11,13-16,27H,12,17H2,1H3,(H,36,41)(H,38,40);4-14,16-17,27,29H,15H2,1-3H3,(H,36,40)(H,38,41);2-13,16-17,26H,14-15H2,1H3,(H,33,37)(H,35,36)/t27-;28-;27-;27-,29?;26-/m00000/s1
InChIKeyRZWWLTWDLXJCJN-VLWROYGKSA-N
XLogP28.38
TPSA404.57 Ų
H-Bond Donors12
H-Bond Acceptors19
Rotatable Bonds41
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002793.81
LogP ≤ 528.38
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1019

Analyze 3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide 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

3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 71186951
US12281099, Example I-010
CID 154691120
5-[2-[2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71185368
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71185371
3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 71186702
3-[2-[2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 71186703
4-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 71186758
4-[2-[2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 71186759
3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 71186920
3-[2-[2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 71186921
3-[2-[2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 71186953
4-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 71186965

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 160775542) is 3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is 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)Cc2ccccc2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3ccc(C(F)(F)F)cc32)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cc(C)c(O)cc23)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cc(F)c(F)cc32)c1.
What is the InChIKey of 3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The InChIKey is RZWWLTWDLXJCJN-VLWROYGKSA-N. The full InChI is InChI=1S/C32H24F6N4O2.C32H28F2N4O3.C31H24F4N4O2.C31H28F4N4O2.C29H24F3N3O2/c1-39-31(44)25-14-20(5-7-26(25)35)24-3-2-9-40-30(24)27(13-18-11-22(33)16-23(34)12-18)41-29(43)17-42-10-8-19-4-6-21(15-28(19)42)32(36,37)38;1-18-9-27-26(16-29(18)39)22(17-37-27)14-30(40)38-28(12-19-10-23(33)15-24(34)11-19)31-25(7-4-8-36-31)20-5-3-6-21(13-20)32(41)35-2;1-36-31(41)21-5-2-4-19(13-21)24-6-3-8-37-30(24)27(12-18-10-22(32)15-23(33)11-18)38-29(40)17-39-9-7-20-14-25(34)26(35)16-28(20)39;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;1-33-29(37)24-16-20(9-10-25(24)32)23-8-5-11-34-28(23)26(14-19-12-21(30)17-22(31)13-19)35-27(36)15-18-6-3-2-4-7-18/h2-12,14-16,27H,13,17H2,1H3,(H,39,44)(H,41,43);3-11,13,15-17,28,37,39H,12,14H2,1-2H3,(H,35,41)(H,38,40);2-11,13-16,27H,12,17H2,1H3,(H,36,41)(H,38,40);4-14,16-17,27,29H,15H2,1-3H3,(H,36,40)(H,38,41);2-13,16-17,26H,14-15H2,1H3,(H,33,37)(H,35,36)/t27-;28-;27-;27-,29?;26-/m00000/s1.
What are the key properties of 3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 2793.81 g/mol, XLogP of 28.38, 41 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S)-1-[[2-(5,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-6-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 160775542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).