(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(4,6-dichloroindazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;2-[6-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C158H128Cl2F20N20O7 — CID 159328477

About (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(4,6-dichloroindazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;2-[6-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(4,6-dichloroindazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;2-[6-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 159328477) has the molecular formula C158H128Cl2F20N20O7 and a molecular weight of 2869.76 g/mol. Its IUPAC name is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(4,6-dichloroindazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;2-[6-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

• Compound Name: (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(4,6-dichloroindazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;2-[6-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
• PubChem CID: 159328477
• Molecular Formula: C158H128Cl2F20N20O7
• Molecular Weight: 2869.76 g/mol
• Exact Mass: 2866.93
• IUPAC Name: (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(4,6-dichloroindazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;2-[6-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
• SMILES: C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2ncc3c(Cl)cc(Cl)cc32)Cc2cc(F)cc(F)c2)ccc1F.C=C1Cc2cc(-c3cccnc3[C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)ccc2N1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cc(C)ccc32)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3c(F)cc(F)cc32)c1.Cc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cc(CN)ccc23)cc1
• InChI: InChI=1S/C33H26F8N4O.C32H27F3N4O2.C31H23Cl2F3N4O.C31H24F4N4O2.C31H28F2N4O/c1-17-9-20-13-19(4-5-26(20)43-17)25-3-2-8-42-28(25)21(10-18-11-22(34)15-23(35)12-18)14-24(46)16-45-30-27(29(44-45)31(36)37)32(38,39)6-7-33(30,40)41;1-19-5-8-29-22(12-19)9-11-39(29)18-30(40)38-28(15-20-13-23(33)17-24(34)14-20)31-25(4-3-10-37-31)21-6-7-27(35)26(16-21)32(41)36-2;1-17(37)26-11-19(4-5-29(26)36)25-3-2-6-38-31(25)20(7-18-8-22(34)14-23(35)9-18)10-24(41)16-40-30-13-21(32)12-28(33)27(30)15-39-40;1-36-31(41)20-5-2-4-19(13-20)24-6-3-8-37-30(24)27(12-18-10-21(32)14-22(33)11-18)38-29(40)17-39-9-7-25-26(35)15-23(34)16-28(25)39;1-19-4-7-22(8-5-19)27-3-2-10-35-31(27)29(14-21-11-24(32)16-25(33)12-21)37-30(38)15-23-18-36-28-13-20(17-34)6-9-26(23)28/h2-5,8,11-13,15,21,31,43H,1,6-7,9-10,14,16H2;3-14,16-17,28H,15,18H2,1-2H3,(H,36,41)(H,38,40);2-6,8-9,11-15,20H,1,7,10,16,37H2;2-11,13-16,27H,12,17H2,1H3,(H,36,41)(H,38,40);2-13,16,18,29,36H,14-15,17,34H2,1H3,(H,37,38)/t21-;28-;20-;27-;29-/m10100/s1
• InChIKey: LERFHWNRTPEPNT-QAWKQOJOSA-N
• XLogP: 33.87
• TPSA: 369.45 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 42
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2869.76
LogP ≤ 5	33.87
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(4,6-dichloroindazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;2-[6-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

The IUPAC name of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(4,6-dichloroindazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;2-[6-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 159328477) is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(4,6-dichloroindazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;2-[6-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

What is the SMILES notation for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(4,6-dichloroindazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;2-[6-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

The canonical SMILES for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(4,6-dichloroindazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;2-[6-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2ncc3c(Cl)cc(Cl)cc32)Cc2cc(F)cc(F)c2)ccc1F.C=C1Cc2cc(-c3cccnc3[C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)ccc2N1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cc(C)ccc32)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3c(F)cc(F)cc32)c1.Cc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cc(CN)ccc23)cc1.

What is the InChIKey of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(4,6-dichloroindazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;2-[6-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

The InChIKey is LERFHWNRTPEPNT-QAWKQOJOSA-N. The full InChI is InChI=1S/C33H26F8N4O.C32H27F3N4O2.C31H23Cl2F3N4O.C31H24F4N4O2.C31H28F2N4O/c1-17-9-20-13-19(4-5-26(20)43-17)25-3-2-8-42-28(25)21(10-18-11-22(34)15-23(35)12-18)14-24(46)16-45-30-27(29(44-45)31(36)37)32(38,39)6-7-33(30,40)41;1-19-5-8-29-22(12-19)9-11-39(29)18-30(40)38-28(15-20-13-23(33)17-24(34)14-20)31-25(4-3-10-37-31)21-6-7-27(35)26(16-21)32(41)36-2;1-17(37)26-11-19(4-5-29(26)36)25-3-2-6-38-31(25)20(7-18-8-22(34)14-23(35)9-18)10-24(41)16-40-30-13-21(32)12-28(33)27(30)15-39-40;1-36-31(41)20-5-2-4-19(13-20)24-6-3-8-37-30(24)27(12-18-10-21(32)14-22(33)11-18)38-29(40)17-39-9-7-25-26(35)15-23(34)16-28(25)39;1-19-4-7-22(8-5-19)27-3-2-10-35-31(27)29(14-21-11-24(32)16-25(33)12-21)37-30(38)15-23-18-36-28-13-20(17-34)6-9-26(23)28/h2-5,8,11-13,15,21,31,43H,1,6-7,9-10,14,16H2;3-14,16-17,28H,15,18H2,1-2H3,(H,36,41)(H,38,40);2-6,8-9,11-15,20H,1,7,10,16,37H2;2-11,13-16,27H,12,17H2,1H3,(H,36,41)(H,38,40);2-13,16,18,29,36H,14-15,17,34H2,1H3,(H,37,38)/t21-;28-;20-;27-;29-/m10100/s1.

What are the key properties of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(4,6-dichloroindazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;2-[6-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?

(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(4,6-dichloroindazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;2-[6-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 2869.76 g/mol, XLogP of 33.87, 42 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(4,6-dichloroindazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;2-[6-(aminomethyl)-1H-indol-3-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 159328477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).