5-[2-[(2R)-5-[5-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-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-[5-(3H-indol-7-yl)pyrimidin-4-yl]ethyl]acetamide;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-(5-naphthalen-2-ylpyrimidin-4-yl)ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-(pyridin-2-ylmethoxy)benzamide

C137H110F22N22O8 — CID 159869752

About 5-[2-[(2R)-5-[5-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-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-[5-(3H-indol-7-yl)pyrimidin-4-yl]ethyl]acetamide;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-(5-naphthalen-2-ylpyrimidin-4-yl)ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-(pyridin-2-ylmethoxy)benzamide

5-[2-[(2R)-5-[5-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-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-[5-(3H-indol-7-yl)pyrimidin-4-yl]ethyl]acetamide;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-(5-naphthalen-2-ylpyrimidin-4-yl)ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-(pyridin-2-ylmethoxy)benzamide (PubChem CID 159869752) has the molecular formula C137H110F22N22O8 and a molecular weight of 2610.49 g/mol. Its IUPAC name is 5-[2-[(2R)-5-[5-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-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-[5-(3H-indol-7-yl)pyrimidin-4-yl]ethyl]acetamide;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-(5-naphthalen-2-ylpyrimidin-4-yl)ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: 5-[2-[(2R)-5-[5-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-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-[5-(3H-indol-7-yl)pyrimidin-4-yl]ethyl]acetamide;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-(5-naphthalen-2-ylpyrimidin-4-yl)ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-(pyridin-2-ylmethoxy)benzamide
• PubChem CID: 159869752
• Molecular Formula: C137H110F22N22O8
• Molecular Weight: 2610.49 g/mol
• Exact Mass: 2608.85
• IUPAC Name: 5-[2-[(2R)-5-[5-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-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-[5-(3H-indol-7-yl)pyrimidin-4-yl]ethyl]acetamide;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-(5-naphthalen-2-ylpyrimidin-4-yl)ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-(pyridin-2-ylmethoxy)benzamide
• SMILES: CNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)cc2C2=CCCC2)Cc2cc(F)cc(F)c2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)OCc3ccccn3)c3c2CCCC3)ccc1OCc1ccccn1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1ccc2ccccc2c1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cccc2c1N=CC2
• InChI: InChI=1S/C42H37F4N7O4.C33H28F6N4O2.C32H23F6N5O.C30H22F6N6O/c43-28-18-26(19-29(44)22-28)20-35(39-32(11-7-17-50-39)27-13-14-37(34(21-27)41(47)55)56-24-30-8-3-5-15-48-30)51-38(54)23-53-36-12-2-1-10-33(36)40(52-53)42(45,46)57-25-31-9-4-6-16-49-31;1-40-32(45)27-15-21(8-9-28(27)36)26-7-4-10-41-31(26)22(11-19-12-23(34)16-24(35)13-19)14-25(44)18-43-29(20-5-2-3-6-20)17-30(42-43)33(37,38)39;33-20-7-16(8-21(34)11-20)9-25(28-23(13-39-15-40-28)19-6-5-17-3-1-2-4-18(17)10-19)41-26(44)14-43-30-27(29(42-43)31(35)36)22-12-24(22)32(30,37)38;31-16-6-14(7-17(32)9-16)8-22(26-20(11-37-13-39-26)18-3-1-2-15-4-5-38-25(15)18)40-23(43)12-42-28-24(27(41-42)29(33)34)19-10-21(19)30(28,35)36/h3-9,11,13-19,21-22,35H,1-2,10,12,20,23-25H2,(H2,47,55)(H,51,54);4-5,7-10,12-13,15-17,22H,2-3,6,11,14,18H2,1H3,(H,40,45);1-8,10-11,13,15,22,24-25,31H,9,12,14H2,(H,41,44);1-3,5-7,9,11,13,19,21-22,29H,4,8,10,12H2,(H,40,43)/t35-;22-;22?,24?,25-;19?,21?,22-/m0100/s1
• InChIKey: NSEPSSYRDYGARE-ZIHAQIAOSA-N
• XLogP: 27.37
• TPSA: 381.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 41
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2610.49
LogP ≤ 5	27.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-5-[5-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-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-[5-(3H-indol-7-yl)pyrimidin-4-yl]ethyl]acetamide;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-(5-naphthalen-2-ylpyrimidin-4-yl)ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-(pyridin-2-ylmethoxy)benzamide?

The IUPAC name of 5-[2-[(2R)-5-[5-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-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-[5-(3H-indol-7-yl)pyrimidin-4-yl]ethyl]acetamide;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-(5-naphthalen-2-ylpyrimidin-4-yl)ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-(pyridin-2-ylmethoxy)benzamide (CID 159869752) is 5-[2-[(2R)-5-[5-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-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-[5-(3H-indol-7-yl)pyrimidin-4-yl]ethyl]acetamide;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-(5-naphthalen-2-ylpyrimidin-4-yl)ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-(pyridin-2-ylmethoxy)benzamide.

What is the SMILES notation for 5-[2-[(2R)-5-[5-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-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-[5-(3H-indol-7-yl)pyrimidin-4-yl]ethyl]acetamide;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-(5-naphthalen-2-ylpyrimidin-4-yl)ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-(pyridin-2-ylmethoxy)benzamide?

The canonical SMILES for 5-[2-[(2R)-5-[5-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-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-[5-(3H-indol-7-yl)pyrimidin-4-yl]ethyl]acetamide;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-(5-naphthalen-2-ylpyrimidin-4-yl)ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-(pyridin-2-ylmethoxy)benzamide is CNC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)cc2C2=CCCC2)Cc2cc(F)cc(F)c2)ccc1F.NC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)OCc3ccccn3)c3c2CCCC3)ccc1OCc1ccccn1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1ccc2ccccc2c1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cccc2c1N=CC2.

What is the InChIKey of 5-[2-[(2R)-5-[5-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-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-[5-(3H-indol-7-yl)pyrimidin-4-yl]ethyl]acetamide;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-(5-naphthalen-2-ylpyrimidin-4-yl)ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-(pyridin-2-ylmethoxy)benzamide?

The InChIKey is NSEPSSYRDYGARE-ZIHAQIAOSA-N. The full InChI is InChI=1S/C42H37F4N7O4.C33H28F6N4O2.C32H23F6N5O.C30H22F6N6O/c43-28-18-26(19-29(44)22-28)20-35(39-32(11-7-17-50-39)27-13-14-37(34(21-27)41(47)55)56-24-30-8-3-5-15-48-30)51-38(54)23-53-36-12-2-1-10-33(36)40(52-53)42(45,46)57-25-31-9-4-6-16-49-31;1-40-32(45)27-15-21(8-9-28(27)36)26-7-4-10-41-31(26)22(11-19-12-23(34)16-24(35)13-19)14-25(44)18-43-29(20-5-2-3-6-20)17-30(42-43)33(37,38)39;33-20-7-16(8-21(34)11-20)9-25(28-23(13-39-15-40-28)19-6-5-17-3-1-2-4-18(17)10-19)41-26(44)14-43-30-27(29(42-43)31(35)36)22-12-24(22)32(30,37)38;31-16-6-14(7-17(32)9-16)8-22(26-20(11-37-13-39-26)18-3-1-2-15-4-5-38-25(15)18)40-23(43)12-42-28-24(27(41-42)29(33)34)19-10-21(19)30(28,35)36/h3-9,11,13-19,21-22,35H,1-2,10,12,20,23-25H2,(H2,47,55)(H,51,54);4-5,7-10,12-13,15-17,22H,2-3,6,11,14,18H2,1H3,(H,40,45);1-8,10-11,13,15,22,24-25,31H,9,12,14H2,(H,41,44);1-3,5-7,9,11,13,19,21-22,29H,4,8,10,12H2,(H,40,43)/t35-;22-;22?,24?,25-;19?,21?,22-/m0100/s1.

What are the key properties of 5-[2-[(2R)-5-[5-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-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-[5-(3H-indol-7-yl)pyrimidin-4-yl]ethyl]acetamide;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-(5-naphthalen-2-ylpyrimidin-4-yl)ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-(pyridin-2-ylmethoxy)benzamide?

5-[2-[(2R)-5-[5-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-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-[5-(3H-indol-7-yl)pyrimidin-4-yl]ethyl]acetamide;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-(5-naphthalen-2-ylpyrimidin-4-yl)ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 2610.49 g/mol, XLogP of 27.37, 41 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2R)-5-[5-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-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-[5-(3H-indol-7-yl)pyrimidin-4-yl]ethyl]acetamide;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-(5-naphthalen-2-ylpyrimidin-4-yl)ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 159869752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).