5-[2-[(1S)-1-[[2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide

C124H104BrF16N17O10 — CID 158467708

About 5-[2-[(1S)-1-[[2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide

5-[2-[(1S)-1-[[2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide (PubChem CID 158467708) has the molecular formula C124H104BrF16N17O10 and a molecular weight of 2376.18 g/mol. Its IUPAC name is 5-[2-[(1S)-1-[[2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[(1S)-1-[[2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide
• PubChem CID: 158467708
• Molecular Formula: C124H104BrF16N17O10
• Molecular Weight: 2376.18 g/mol
• Exact Mass: 2373.71
• IUPAC Name: 5-[2-[(1S)-1-[[2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide
• SMILES: CC(C)Oc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)cc1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2C(=O)Nc3cc(C)cc(C)c32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cccc(F)c2)NC(=O)Cn2nc(C(F)(F)F)cc2Br)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C2CC23C(=O)Nc2ccccc23)c1
• InChI: InChI=1S/C33H29F3N4O3.C32H28F6N4O2.C32H26F2N4O3.C27H21BrF5N5O2/c1-17-9-18(2)30-25(33(43)40-27(30)10-17)16-29(41)39-28(13-19-11-21(34)15-22(35)12-19)31-23(5-4-8-38-31)20-6-7-26(36)24(14-20)32(42)37-3;1-16(2)44-21-7-5-18(6-8-21)22-4-3-9-39-28(22)25(12-17-10-19(33)13-20(34)11-17)40-26(43)15-42-30-27(29(41-42)31(35)36)23-14-24(23)32(30,37)38;1-35-29(39)20-7-4-6-19(15-20)23-8-5-11-36-28(23)27(14-18-12-21(33)16-22(34)13-18)37-30(40)25-17-32(25)24-9-2-3-10-26(24)38-31(32)41;1-34-26(40)19-12-16(7-8-20(19)30)18-6-3-9-35-25(18)21(11-15-4-2-5-17(29)10-15)36-24(39)14-38-23(28)13-22(37-38)27(31,32)33/h4-12,14-15,25,28H,13,16H2,1-3H3,(H,37,42)(H,39,41)(H,40,43);3-11,13,16,23-25,31H,12,14-15H2,1-2H3,(H,40,43);2-13,15-16,25,27H,14,17H2,1H3,(H,35,39)(H,37,40)(H,38,41);2-10,12-13,21H,11,14H2,1H3,(H,34,40)(H,36,39)/t25?,28-;23?,24?,25-;25?,27-,32?;21-/m0000/s1
• InChIKey: HFYNZANRSNSSNF-WTCIURHKSA-N
• XLogP: 23.09
• TPSA: 358.33 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 33
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2376.18
LogP ≤ 5	23.09
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1S)-1-[[2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide?

The IUPAC name of 5-[2-[(1S)-1-[[2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide (CID 158467708) is 5-[2-[(1S)-1-[[2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide.

What is the SMILES notation for 5-[2-[(1S)-1-[[2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide?

The canonical SMILES for 5-[2-[(1S)-1-[[2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide is CC(C)Oc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)C2CC32)cc1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2C(=O)Nc3cc(C)cc(C)c32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cccc(F)c2)NC(=O)Cn2nc(C(F)(F)F)cc2Br)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C2CC23C(=O)Nc2ccccc23)c1.

What is the InChIKey of 5-[2-[(1S)-1-[[2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide?

The InChIKey is HFYNZANRSNSSNF-WTCIURHKSA-N. The full InChI is InChI=1S/C33H29F3N4O3.C32H28F6N4O2.C32H26F2N4O3.C27H21BrF5N5O2/c1-17-9-18(2)30-25(33(43)40-27(30)10-17)16-29(41)39-28(13-19-11-21(34)15-22(35)12-19)31-23(5-4-8-38-31)20-6-7-26(36)24(14-20)32(42)37-3;1-16(2)44-21-7-5-18(6-8-21)22-4-3-9-39-28(22)25(12-17-10-19(33)13-20(34)11-17)40-26(43)15-42-30-27(29(41-42)31(35)36)23-14-24(23)32(30,37)38;1-35-29(39)20-7-4-6-19(15-20)23-8-5-11-36-28(23)27(14-18-12-21(33)16-22(34)13-18)37-30(40)25-17-32(25)24-9-2-3-10-26(24)38-31(32)41;1-34-26(40)19-12-16(7-8-20(19)30)18-6-3-9-35-25(18)21(11-15-4-2-5-17(29)10-15)36-24(39)14-38-23(28)13-22(37-38)27(31,32)33/h4-12,14-15,25,28H,13,16H2,1-3H3,(H,37,42)(H,39,41)(H,40,43);3-11,13,16,23-25,31H,12,14-15H2,1-2H3,(H,40,43);2-13,15-16,25,27H,14,17H2,1H3,(H,35,39)(H,37,40)(H,38,41);2-10,12-13,21H,11,14H2,1H3,(H,34,40)(H,36,39)/t25?,28-;23?,24?,25-;25?,27-,32?;21-/m0000/s1.

What are the key properties of 5-[2-[(1S)-1-[[2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide?

5-[2-[(1S)-1-[[2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide has a molecular weight of 2376.18 g/mol, XLogP of 23.09, 33 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(1S)-1-[[2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4,6-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 158467708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).