(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;3-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide;3-bromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3-bromo-2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]pyridine;(3-carbamoylphenyl)boronic acid;3-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-3-pyridinyl]benzamide;2-(5-fluoro-1H-indol-3-yl)acetic acid

C123H109BBr2F12N10O10S — CID 159649152

About (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;3-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide;3-bromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3-bromo-2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]pyridine;(3-carbamoylphenyl)boronic acid;3-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-3-pyridinyl]benzamide;2-(5-fluoro-1H-indol-3-yl)acetic acid

(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;3-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide;3-bromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3-bromo-2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]pyridine;(3-carbamoylphenyl)boronic acid;3-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-3-pyridinyl]benzamide;2-(5-fluoro-1H-indol-3-yl)acetic acid (PubChem CID 159649152) has the molecular formula C123H109BBr2F12N10O10S and a molecular weight of 2317.95 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;3-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide;3-bromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3-bromo-2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]pyridine;(3-carbamoylphenyl)boronic acid;3-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-3-pyridinyl]benzamide;2-(5-fluoro-1H-indol-3-yl)acetic acid.

Molecular Properties

• Compound Name: (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;3-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide;3-bromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3-bromo-2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]pyridine;(3-carbamoylphenyl)boronic acid;3-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-3-pyridinyl]benzamide;2-(5-fluoro-1H-indol-3-yl)acetic acid
• PubChem CID: 159649152
• Molecular Formula: C123H109BBr2F12N10O10S
• Molecular Weight: 2317.95 g/mol
• Exact Mass: 2314.63
• IUPAC Name: (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;3-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide;3-bromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3-bromo-2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]pyridine;(3-carbamoylphenyl)boronic acid;3-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-3-pyridinyl]benzamide;2-(5-fluoro-1H-indol-3-yl)acetic acid
• SMILES: CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)c1.CC(C)(C)[S@](=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1Br.C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(C(N)=O)c1.C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1Br.NC(=O)c1cccc(-c2cccnc2[C@@H](N)Cc2cc(F)cc(F)c2)c1.NC(=O)c1cccc(B(O)O)c1.O=C(O)Cc1c[nH]c2ccc(F)cc12
• InChI: InChI=1S/C33H26F3NO2.C21H18F2N2O.C20H17F2N3O.C18H20BrF2NOS.C14H12BrF2N.C10H8FNO2.C7H8BNO3/c1-20(38)23-4-2-5-24(15-23)31-6-3-11-37-33(31)26(12-21-13-28(35)18-29(36)14-21)17-30(39)16-25-8-7-22-9-10-27(34)19-32(22)25;1-13(8-14-9-17(22)12-18(23)10-14)20-19(6-3-7-25-20)15-4-2-5-16(11-15)21(24)26;21-15-7-12(8-16(22)11-15)9-18(23)19-17(5-2-6-25-19)13-3-1-4-14(10-13)20(24)26;1-18(2,3)24(23)11-13(17-16(19)5-4-6-22-17)7-12-8-14(20)10-15(21)9-12;1-9(14-13(15)3-2-4-18-14)5-10-6-11(16)8-12(17)7-10;11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14;9-7(10)5-2-1-3-6(4-5)8(11)12/h2-6,8-11,13-15,18-19,26H,7,12,16-17H2,1H3;2-7,9-13H,8H2,1H3,(H2,24,26);1-8,10-11,18H,9,23H2,(H2,24,26);4-6,8-10,13H,7,11H2,1-3H3;2-4,6-9H,5H2,1H3;1-2,4-5,12H,3H2,(H,13,14);1-4,11-12H,(H2,9,10)/t26-;13-;18-;13-,24-;9-;;/m10010../s1
• InChIKey: MRIOKWWBTRCYBR-IFNRSQCASA-N
• XLogP: 25.39
• TPSA: 364.50 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 31
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2317.95
LogP ≤ 5	25.39
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;3-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide;3-bromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3-bromo-2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]pyridine;(3-carbamoylphenyl)boronic acid;3-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-3-pyridinyl]benzamide;2-(5-fluoro-1H-indol-3-yl)acetic acid?

The IUPAC name of (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;3-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide;3-bromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3-bromo-2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]pyridine;(3-carbamoylphenyl)boronic acid;3-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-3-pyridinyl]benzamide;2-(5-fluoro-1H-indol-3-yl)acetic acid (CID 159649152) is (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;3-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide;3-bromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3-bromo-2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]pyridine;(3-carbamoylphenyl)boronic acid;3-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-3-pyridinyl]benzamide;2-(5-fluoro-1H-indol-3-yl)acetic acid.

What is the SMILES notation for (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;3-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide;3-bromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3-bromo-2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]pyridine;(3-carbamoylphenyl)boronic acid;3-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-3-pyridinyl]benzamide;2-(5-fluoro-1H-indol-3-yl)acetic acid?

The canonical SMILES for (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;3-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide;3-bromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3-bromo-2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]pyridine;(3-carbamoylphenyl)boronic acid;3-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-3-pyridinyl]benzamide;2-(5-fluoro-1H-indol-3-yl)acetic acid is CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)c1.CC(C)(C)[S@](=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1Br.C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(C(N)=O)c1.C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1Br.NC(=O)c1cccc(-c2cccnc2[C@@H](N)Cc2cc(F)cc(F)c2)c1.NC(=O)c1cccc(B(O)O)c1.O=C(O)Cc1c[nH]c2ccc(F)cc12.

What is the InChIKey of (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;3-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide;3-bromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3-bromo-2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]pyridine;(3-carbamoylphenyl)boronic acid;3-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-3-pyridinyl]benzamide;2-(5-fluoro-1H-indol-3-yl)acetic acid?

The InChIKey is MRIOKWWBTRCYBR-IFNRSQCASA-N. The full InChI is InChI=1S/C33H26F3NO2.C21H18F2N2O.C20H17F2N3O.C18H20BrF2NOS.C14H12BrF2N.C10H8FNO2.C7H8BNO3/c1-20(38)23-4-2-5-24(15-23)31-6-3-11-37-33(31)26(12-21-13-28(35)18-29(36)14-21)17-30(39)16-25-8-7-22-9-10-27(34)19-32(22)25;1-13(8-14-9-17(22)12-18(23)10-14)20-19(6-3-7-25-20)15-4-2-5-16(11-15)21(24)26;21-15-7-12(8-16(22)11-15)9-18(23)19-17(5-2-6-25-19)13-3-1-4-14(10-13)20(24)26;1-18(2,3)24(23)11-13(17-16(19)5-4-6-22-17)7-12-8-14(20)10-15(21)9-12;1-9(14-13(15)3-2-4-18-14)5-10-6-11(16)8-12(17)7-10;11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14;9-7(10)5-2-1-3-6(4-5)8(11)12/h2-6,8-11,13-15,18-19,26H,7,12,16-17H2,1H3;2-7,9-13H,8H2,1H3,(H2,24,26);1-8,10-11,18H,9,23H2,(H2,24,26);4-6,8-10,13H,7,11H2,1-3H3;2-4,6-9H,5H2,1H3;1-2,4-5,12H,3H2,(H,13,14);1-4,11-12H,(H2,9,10)/t26-;13-;18-;13-,24-;9-;;/m10010../s1.

What are the key properties of (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;3-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide;3-bromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3-bromo-2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]pyridine;(3-carbamoylphenyl)boronic acid;3-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-3-pyridinyl]benzamide;2-(5-fluoro-1H-indol-3-yl)acetic acid?

(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;3-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide;3-bromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3-bromo-2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]pyridine;(3-carbamoylphenyl)boronic acid;3-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-3-pyridinyl]benzamide;2-(5-fluoro-1H-indol-3-yl)acetic acid has a molecular weight of 2317.95 g/mol, XLogP of 25.39, 31 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;3-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]benzamide;3-bromo-2-[(2S)-1-[(R)-tert-butylsulfinyl]-3-(3,5-difluorophenyl)propan-2-yl]pyridine;3-bromo-2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]pyridine;(3-carbamoylphenyl)boronic acid;3-[2-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]-3-pyridinyl]benzamide;2-(5-fluoro-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 159649152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).