4-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one;4-bromo-1,3-dihydroindol-2-one;tert-butyl (3R)-3-(3-bromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-(2-oxo-1,3-dihydroindol-4-yl)-2-pyridinyl]butanoate;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1,3-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C129H125B2Br2F20N13O15 — CID 159831632

About 4-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one;4-bromo-1,3-dihydroindol-2-one;tert-butyl (3R)-3-(3-bromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-(2-oxo-1,3-dihydroindol-4-yl)-2-pyridinyl]butanoate;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1,3-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one;4-bromo-1,3-dihydroindol-2-one;tert-butyl (3R)-3-(3-bromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-(2-oxo-1,3-dihydroindol-4-yl)-2-pyridinyl]butanoate;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1,3-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159831632) has the molecular formula C129H125B2Br2F20N13O15 and a molecular weight of 2658.89 g/mol. Its IUPAC name is 4-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one;4-bromo-1,3-dihydroindol-2-one;tert-butyl (3R)-3-(3-bromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-(2-oxo-1,3-dihydroindol-4-yl)-2-pyridinyl]butanoate;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1,3-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one;4-bromo-1,3-dihydroindol-2-one;tert-butyl (3R)-3-(3-bromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-(2-oxo-1,3-dihydroindol-4-yl)-2-pyridinyl]butanoate;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1,3-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159831632
• Molecular Formula: C129H125B2Br2F20N13O15
• Molecular Weight: 2658.89 g/mol
• Exact Mass: 2655.77
• IUPAC Name: 4-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one;4-bromo-1,3-dihydroindol-2-one;tert-butyl (3R)-3-(3-bromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-(2-oxo-1,3-dihydroindol-4-yl)-2-pyridinyl]butanoate;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1,3-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC(C)(C)OC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc2c1CC(=O)N2.CC(C)(C)OC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1Br.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc2c1CC(=O)N2.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc2c1CC(=O)N2)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.O=C(O)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.O=C1Cc2c(Br)cccc2N1
• InChI: InChI=1S/C32H24F8N4O2.C27H26F2N2O3.C21H17F2N3O.C19H20BrF2NO2.C12H24B2O4.C10H8F6N2O2.C8H6BrNO/c33-18-10-16(11-19(34)13-18)9-17(27-22(4-2-8-41-27)21-3-1-5-24-23(21)14-25(46)42-24)12-20(45)15-44-29-26(28(43-44)30(35)36)31(37,38)6-7-32(29,39)40;1-27(2,3)34-25(33)13-17(10-16-11-18(28)14-19(29)12-16)26-21(7-5-9-30-26)20-6-4-8-23-22(20)15-24(32)31-23;22-13-7-12(8-14(23)10-13)9-18(24)21-16(4-2-6-25-21)15-3-1-5-19-17(15)11-20(27)26-19;1-19(2,3)25-17(24)10-13(18-16(20)5-4-6-23-18)7-12-8-14(21)11-15(22)9-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-8(12)6-5-7(18(17-6)3-4(19)20)10(15,16)2-1-9(5,13)14;9-6-2-1-3-7-5(6)4-8(11)10-7/h1-5,8,10-11,13,17,30H,6-7,9,12,14-15H2,(H,42,46);4-9,11-12,14,17H,10,13,15H2,1-3H3,(H,31,32);1-8,10,18H,9,11,24H2,(H,26,27);4-6,8-9,11,13H,7,10H2,1-3H3;1-8H3;8H,1-3H2,(H,19,20);1-3H,4H2,(H,10,11)/t2*17-;18-;13-;;;/m1101.../s1
• InChIKey: NNNMSOHRAUVCEV-SCYQYFSQSA-N
• XLogP: 29.22
• TPSA: 373.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2658.89
LogP ≤ 5	29.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one;4-bromo-1,3-dihydroindol-2-one;tert-butyl (3R)-3-(3-bromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-(2-oxo-1,3-dihydroindol-4-yl)-2-pyridinyl]butanoate;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1,3-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 4-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one;4-bromo-1,3-dihydroindol-2-one;tert-butyl (3R)-3-(3-bromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-(2-oxo-1,3-dihydroindol-4-yl)-2-pyridinyl]butanoate;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1,3-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159831632) is 4-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one;4-bromo-1,3-dihydroindol-2-one;tert-butyl (3R)-3-(3-bromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-(2-oxo-1,3-dihydroindol-4-yl)-2-pyridinyl]butanoate;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1,3-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 4-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one;4-bromo-1,3-dihydroindol-2-one;tert-butyl (3R)-3-(3-bromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-(2-oxo-1,3-dihydroindol-4-yl)-2-pyridinyl]butanoate;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1,3-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 4-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one;4-bromo-1,3-dihydroindol-2-one;tert-butyl (3R)-3-(3-bromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-(2-oxo-1,3-dihydroindol-4-yl)-2-pyridinyl]butanoate;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1,3-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(C)OC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc2c1CC(=O)N2.CC(C)(C)OC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1Br.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc2c1CC(=O)N2.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc2c1CC(=O)N2)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.O=C(O)Cn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.O=C1Cc2c(Br)cccc2N1.

What is the InChIKey of 4-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one;4-bromo-1,3-dihydroindol-2-one;tert-butyl (3R)-3-(3-bromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-(2-oxo-1,3-dihydroindol-4-yl)-2-pyridinyl]butanoate;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1,3-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is NNNMSOHRAUVCEV-SCYQYFSQSA-N. The full InChI is InChI=1S/C32H24F8N4O2.C27H26F2N2O3.C21H17F2N3O.C19H20BrF2NO2.C12H24B2O4.C10H8F6N2O2.C8H6BrNO/c33-18-10-16(11-19(34)13-18)9-17(27-22(4-2-8-41-27)21-3-1-5-24-23(21)14-25(46)42-24)12-20(45)15-44-29-26(28(43-44)30(35)36)31(37,38)6-7-32(29,39)40;1-27(2,3)34-25(33)13-17(10-16-11-18(28)14-19(29)12-16)26-21(7-5-9-30-26)20-6-4-8-23-22(20)15-24(32)31-23;22-13-7-12(8-14(23)10-13)9-18(24)21-16(4-2-6-25-21)15-3-1-5-19-17(15)11-20(27)26-19;1-19(2,3)25-17(24)10-13(18-16(20)5-4-6-23-18)7-12-8-14(21)11-15(22)9-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-8(12)6-5-7(18(17-6)3-4(19)20)10(15,16)2-1-9(5,13)14;9-6-2-1-3-7-5(6)4-8(11)10-7/h1-5,8,10-11,13,17,30H,6-7,9,12,14-15H2,(H,42,46);4-9,11-12,14,17H,10,13,15H2,1-3H3,(H,31,32);1-8,10,18H,9,11,24H2,(H,26,27);4-6,8-9,11,13H,7,10H2,1-3H3;1-8H3;8H,1-3H2,(H,19,20);1-3H,4H2,(H,10,11)/t2*17-;18-;13-;;;/m1101.../s1.

What are the key properties of 4-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one;4-bromo-1,3-dihydroindol-2-one;tert-butyl (3R)-3-(3-bromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-(2-oxo-1,3-dihydroindol-4-yl)-2-pyridinyl]butanoate;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1,3-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

4-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one;4-bromo-1,3-dihydroindol-2-one;tert-butyl (3R)-3-(3-bromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-(2-oxo-1,3-dihydroindol-4-yl)-2-pyridinyl]butanoate;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1,3-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2658.89 g/mol, XLogP of 29.22, 28 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-1,3-dihydroindol-2-one;4-bromo-1,3-dihydroindol-2-one;tert-butyl (3R)-3-(3-bromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-(2-oxo-1,3-dihydroindol-4-yl)-2-pyridinyl]butanoate;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetic acid;4-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-1,3-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159831632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).