N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetamide;N-[(1S)-1-[3-(4-cyclopropyloxyphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-oxo-2,4-dihydroquinolin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-fluoro-5-[2-[(1S)-2-(3-fluorophenyl)-1-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide

C187H154ClF23N25O16+ — CID 158849697

About N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetamide;N-[(1S)-1-[3-(4-cyclopropyloxyphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-oxo-2,4-dihydroquinolin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-fluoro-5-[2-[(1S)-2-(3-fluorophenyl)-1-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide

N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetamide;N-[(1S)-1-[3-(4-cyclopropyloxyphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-oxo-2,4-dihydroquinolin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-fluoro-5-[2-[(1S)-2-(3-fluorophenyl)-1-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide (PubChem CID 158849697) has the molecular formula C187H154ClF23N25O16+ and a molecular weight of 3479.85 g/mol. Its IUPAC name is N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetamide;N-[(1S)-1-[3-(4-cyclopropyloxyphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-oxo-2,4-dihydroquinolin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-fluoro-5-[2-[(1S)-2-(3-fluorophenyl)-1-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetamide;N-[(1S)-1-[3-(4-cyclopropyloxyphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-oxo-2,4-dihydroquinolin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-fluoro-5-[2-[(1S)-2-(3-fluorophenyl)-1-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
• PubChem CID: 158849697
• Molecular Formula: C187H154ClF23N25O16+
• Molecular Weight: 3479.85 g/mol
• Exact Mass: 3477.13
• IUPAC Name: N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetamide;N-[(1S)-1-[3-(4-cyclopropyloxyphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-oxo-2,4-dihydroquinolin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-fluoro-5-[2-[(1S)-2-(3-fluorophenyl)-1-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
• SMILES: CC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cnc(Cl)nc32)c1.CNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)C[N+]2=C3CC(O)CC3C(C(F)(F)F)=N2)Cc2cc(F)cc(F)c2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2C(=O)Nc3ccc(F)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CN2CC(=O)Cc3ccccc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cccc(F)c2)NC(=O)CC2CC(=O)Nc3ccccc32)ccc1F.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(OC2CC2)cc1
• InChI: InChI=1S/C32H26F6N4O2.C32H27F3N4O3.C32H28F2N4O3.C31H26F6N4O3.C31H24F4N4O3.C29H22ClF2N5O2/c33-18-10-16(11-19(34)13-18)12-25(28-22(2-1-9-39-28)17-3-5-20(6-4-17)44-21-7-8-21)40-26(43)15-42-30-27(29(41-42)31(35)36)23-14-24(23)32(30,37)38;1-36-32(42)26-15-20(8-9-27(26)35)25-6-4-10-37-31(25)28(13-19-11-22(33)16-23(34)12-19)38-30(41)18-39-17-24(40)14-21-5-2-3-7-29(21)39;1-35-32(41)25-16-20(11-12-26(25)34)24-9-5-13-36-31(24)28(15-19-6-4-7-22(33)14-19)38-30(40)18-21-17-29(39)37-27-10-3-2-8-23(21)27;1-38-30(44)24-11-17(4-5-26(24)34)23-3-2-6-39-28(23)18(7-16-8-19(32)12-20(33)9-16)10-22(43)15-41-27-14-21(42)13-25(27)29(40-41)31(35,36)37;1-36-30(41)24-12-17(4-6-25(24)35)21-3-2-8-37-29(21)27(11-16-9-19(33)13-20(34)10-16)38-28(40)15-23-22-14-18(32)5-7-26(22)39-31(23)42;1-17(38)19-4-2-5-20(13-19)24-6-3-8-33-27(24)25(12-18-10-22(31)14-23(32)11-18)35-26(39)16-37-9-7-21-15-34-29(30)36-28(21)37/h1-6,9-11,13,21,23-25,31H,7-8,12,14-15H2,(H,40,43);2-12,15-16,28H,13-14,17-18H2,1H3,(H,36,42)(H,38,41);2-14,16,21,28H,15,17-18H2,1H3,(H,35,41)(H,37,39)(H,38,40);2-6,8-9,11-12,18,21,25,42H,7,10,13-15H2,1H3;2-10,12-14,23,27H,11,15H2,1H3,(H,36,41)(H,38,40)(H,39,42);2-11,13-15,25H,12,16H2,1H3,(H,35,39)/p+1/t23?,24?,25-;28-;21?,28-;18-,21?,25?;23?,27-;25-/m000100/s1
• InChIKey: ORCGXJRHBJGWHH-FAFAQPPZSA-O
• XLogP: 32.76
• TPSA: 545.25 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 51
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3479.85
LogP ≤ 5	32.76
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetamide;N-[(1S)-1-[3-(4-cyclopropyloxyphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-oxo-2,4-dihydroquinolin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-fluoro-5-[2-[(1S)-2-(3-fluorophenyl)-1-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide?

The IUPAC name of N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetamide;N-[(1S)-1-[3-(4-cyclopropyloxyphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-oxo-2,4-dihydroquinolin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-fluoro-5-[2-[(1S)-2-(3-fluorophenyl)-1-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide (CID 158849697) is N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetamide;N-[(1S)-1-[3-(4-cyclopropyloxyphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-oxo-2,4-dihydroquinolin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-fluoro-5-[2-[(1S)-2-(3-fluorophenyl)-1-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide.

What is the SMILES notation for N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetamide;N-[(1S)-1-[3-(4-cyclopropyloxyphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-oxo-2,4-dihydroquinolin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-fluoro-5-[2-[(1S)-2-(3-fluorophenyl)-1-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide?

The canonical SMILES for N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetamide;N-[(1S)-1-[3-(4-cyclopropyloxyphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-oxo-2,4-dihydroquinolin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-fluoro-5-[2-[(1S)-2-(3-fluorophenyl)-1-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide is CC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cnc(Cl)nc32)c1.CNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)C[N+]2=C3CC(O)CC3C(C(F)(F)F)=N2)Cc2cc(F)cc(F)c2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2C(=O)Nc3ccc(F)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CN2CC(=O)Cc3ccccc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cccc(F)c2)NC(=O)CC2CC(=O)Nc3ccccc32)ccc1F.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(OC2CC2)cc1.

What is the InChIKey of N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetamide;N-[(1S)-1-[3-(4-cyclopropyloxyphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-oxo-2,4-dihydroquinolin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-fluoro-5-[2-[(1S)-2-(3-fluorophenyl)-1-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide?

The InChIKey is ORCGXJRHBJGWHH-FAFAQPPZSA-O. The full InChI is InChI=1S/C32H26F6N4O2.C32H27F3N4O3.C32H28F2N4O3.C31H26F6N4O3.C31H24F4N4O3.C29H22ClF2N5O2/c33-18-10-16(11-19(34)13-18)12-25(28-22(2-1-9-39-28)17-3-5-20(6-4-17)44-21-7-8-21)40-26(43)15-42-30-27(29(41-42)31(35)36)23-14-24(23)32(30,37)38;1-36-32(42)26-15-20(8-9-27(26)35)25-6-4-10-37-31(25)28(13-19-11-22(33)16-23(34)12-19)38-30(41)18-39-17-24(40)14-21-5-2-3-7-29(21)39;1-35-32(41)25-16-20(11-12-26(25)34)24-9-5-13-36-31(24)28(15-19-6-4-7-22(33)14-19)38-30(40)18-21-17-29(39)37-27-10-3-2-8-23(21)27;1-38-30(44)24-11-17(4-5-26(24)34)23-3-2-6-39-28(23)18(7-16-8-19(32)12-20(33)9-16)10-22(43)15-41-27-14-21(42)13-25(27)29(40-41)31(35,36)37;1-36-30(41)24-12-17(4-6-25(24)35)21-3-2-8-37-29(21)27(11-16-9-19(33)13-20(34)10-16)38-28(40)15-23-22-14-18(32)5-7-26(22)39-31(23)42;1-17(38)19-4-2-5-20(13-19)24-6-3-8-33-27(24)25(12-18-10-22(31)14-23(32)11-18)35-26(39)16-37-9-7-21-15-34-29(30)36-28(21)37/h1-6,9-11,13,21,23-25,31H,7-8,12,14-15H2,(H,40,43);2-12,15-16,28H,13-14,17-18H2,1H3,(H,36,42)(H,38,41);2-14,16,21,28H,15,17-18H2,1H3,(H,35,41)(H,37,39)(H,38,40);2-6,8-9,11-12,18,21,25,42H,7,10,13-15H2,1H3;2-10,12-14,23,27H,11,15H2,1H3,(H,36,41)(H,38,40)(H,39,42);2-11,13-15,25H,12,16H2,1H3,(H,35,39)/p+1/t23?,24?,25-;28-;21?,28-;18-,21?,25?;23?,27-;25-/m000100/s1.

What are the key properties of N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetamide;N-[(1S)-1-[3-(4-cyclopropyloxyphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-oxo-2,4-dihydroquinolin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-fluoro-5-[2-[(1S)-2-(3-fluorophenyl)-1-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide?

N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetamide;N-[(1S)-1-[3-(4-cyclopropyloxyphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-oxo-2,4-dihydroquinolin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-fluoro-5-[2-[(1S)-2-(3-fluorophenyl)-1-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide has a molecular weight of 3479.85 g/mol, XLogP of 32.76, 51 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetamide;N-[(1S)-1-[3-(4-cyclopropyloxyphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-1-ium-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-oxo-2,4-dihydroquinolin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-fluoro-5-[2-[(1S)-2-(3-fluorophenyl)-1-[[2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide is sourced from PubChem (CID 158849697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).