(3S)-1-[3-(1-benzofuran-2-yl)-4-propoxy-2H-indazol-5-yl]-4-hydroxy-3-phenylbutan-1-one;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]acetamide;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide

C101H84F8N12O11 — CID 161073666

About (3S)-1-[3-(1-benzofuran-2-yl)-4-propoxy-2H-indazol-5-yl]-4-hydroxy-3-phenylbutan-1-one;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]acetamide;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide

(3S)-1-[3-(1-benzofuran-2-yl)-4-propoxy-2H-indazol-5-yl]-4-hydroxy-3-phenylbutan-1-one;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]acetamide;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 161073666) has the molecular formula C101H84F8N12O11 and a molecular weight of 1793.84 g/mol. Its IUPAC name is (3S)-1-[3-(1-benzofuran-2-yl)-4-propoxy-2H-indazol-5-yl]-4-hydroxy-3-phenylbutan-1-one;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]acetamide;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[3-(1-benzofuran-2-yl)-4-propoxy-2H-indazol-5-yl]-4-hydroxy-3-phenylbutan-1-one;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]acetamide;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide
• PubChem CID: 161073666
• Molecular Formula: C101H84F8N12O11
• Molecular Weight: 1793.84 g/mol
• Exact Mass: 1792.63
• IUPAC Name: (3S)-1-[3-(1-benzofuran-2-yl)-4-propoxy-2H-indazol-5-yl]-4-hydroxy-3-phenylbutan-1-one;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]acetamide;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide
• SMILES: CC(=O)Nc1cc(F)c2[nH]cc(-c3cccc(F)c3)c2c1.CCCOc1c(C(=O)C[C@H](CO)c2ccccc2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.O=C(Nc1cc(F)c2[nH]cc(-c3cccc(F)c3)c2c1)C1CCOC1.O=C1CC[C@@H](C(=O)Nc2cc(F)c3[nH]cc(-c4cccc(F)c4)c3c2)N1.O=C1CC[C@H](C(=O)Nc2cc(F)c3[nH]cc(-c4cccc(F)c4)c3c2)N1
• InChI: InChI=1S/C28H26N2O4.2C19H15F2N3O2.C19H16F2N2O2.C16H12F2N2O/c1-2-14-33-28-21(23(32)15-20(17-31)18-8-4-3-5-9-18)12-13-22-26(28)27(30-29-22)25-16-19-10-6-7-11-24(19)34-25;2*20-11-3-1-2-10(6-11)14-9-22-18-13(14)7-12(8-15(18)21)23-19(26)16-4-5-17(25)24-16;20-13-3-1-2-11(6-13)16-9-22-18-15(16)7-14(8-17(18)21)23-19(24)12-4-5-25-10-12;1-9(21)20-12-6-13-14(8-19-16(13)15(18)7-12)10-3-2-4-11(17)5-10/h3-13,16,20,31H,2,14-15,17H2,1H3,(H,29,30);2*1-3,6-9,16,22H,4-5H2,(H,23,26)(H,24,25);1-3,6-9,12,22H,4-5,10H2,(H,23,24);2-8,19H,1H3,(H,20,21)/t20-;2*16-;;/m110../s1
• InChIKey: UEZDMNPPDUHKRB-CELKOUEISA-N
• XLogP: 20.93
• TPSA: 335.34 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1793.84
LogP ≤ 5	20.93
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(1-benzofuran-2-yl)-4-propoxy-2H-indazol-5-yl]-4-hydroxy-3-phenylbutan-1-one;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]acetamide;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide?

The IUPAC name of (3S)-1-[3-(1-benzofuran-2-yl)-4-propoxy-2H-indazol-5-yl]-4-hydroxy-3-phenylbutan-1-one;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]acetamide;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide (CID 161073666) is (3S)-1-[3-(1-benzofuran-2-yl)-4-propoxy-2H-indazol-5-yl]-4-hydroxy-3-phenylbutan-1-one;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]acetamide;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide.

What is the SMILES notation for (3S)-1-[3-(1-benzofuran-2-yl)-4-propoxy-2H-indazol-5-yl]-4-hydroxy-3-phenylbutan-1-one;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]acetamide;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide?

The canonical SMILES for (3S)-1-[3-(1-benzofuran-2-yl)-4-propoxy-2H-indazol-5-yl]-4-hydroxy-3-phenylbutan-1-one;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]acetamide;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide is CC(=O)Nc1cc(F)c2[nH]cc(-c3cccc(F)c3)c2c1.CCCOc1c(C(=O)C[C@H](CO)c2ccccc2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.O=C(Nc1cc(F)c2[nH]cc(-c3cccc(F)c3)c2c1)C1CCOC1.O=C1CC[C@@H](C(=O)Nc2cc(F)c3[nH]cc(-c4cccc(F)c4)c3c2)N1.O=C1CC[C@H](C(=O)Nc2cc(F)c3[nH]cc(-c4cccc(F)c4)c3c2)N1.

What is the InChIKey of (3S)-1-[3-(1-benzofuran-2-yl)-4-propoxy-2H-indazol-5-yl]-4-hydroxy-3-phenylbutan-1-one;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]acetamide;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide?

The InChIKey is UEZDMNPPDUHKRB-CELKOUEISA-N. The full InChI is InChI=1S/C28H26N2O4.2C19H15F2N3O2.C19H16F2N2O2.C16H12F2N2O/c1-2-14-33-28-21(23(32)15-20(17-31)18-8-4-3-5-9-18)12-13-22-26(28)27(30-29-22)25-16-19-10-6-7-11-24(19)34-25;2*20-11-3-1-2-10(6-11)14-9-22-18-13(14)7-12(8-15(18)21)23-19(26)16-4-5-17(25)24-16;20-13-3-1-2-11(6-13)16-9-22-18-15(16)7-14(8-17(18)21)23-19(24)12-4-5-25-10-12;1-9(21)20-12-6-13-14(8-19-16(13)15(18)7-12)10-3-2-4-11(17)5-10/h3-13,16,20,31H,2,14-15,17H2,1H3,(H,29,30);2*1-3,6-9,16,22H,4-5H2,(H,23,26)(H,24,25);1-3,6-9,12,22H,4-5,10H2,(H,23,24);2-8,19H,1H3,(H,20,21)/t20-;2*16-;;/m110../s1.

What are the key properties of (3S)-1-[3-(1-benzofuran-2-yl)-4-propoxy-2H-indazol-5-yl]-4-hydroxy-3-phenylbutan-1-one;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]acetamide;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide?

(3S)-1-[3-(1-benzofuran-2-yl)-4-propoxy-2H-indazol-5-yl]-4-hydroxy-3-phenylbutan-1-one;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]acetamide;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 1793.84 g/mol, XLogP of 20.93, 20 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[3-(1-benzofuran-2-yl)-4-propoxy-2H-indazol-5-yl]-4-hydroxy-3-phenylbutan-1-one;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]acetamide;N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-1H-indol-5-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 161073666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).