1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone

C175H173F7N18O10 — CID 159836293

About 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone

1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone (PubChem CID 159836293) has the molecular formula C175H173F7N18O10 and a molecular weight of 2821.41 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
• PubChem CID: 159836293
• Molecular Formula: C175H173F7N18O10
• Molecular Weight: 2821.41 g/mol
• Exact Mass: 2819.35
• IUPAC Name: 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
• SMILES: CC1CC(CC(=O)c2ccc3c(c2)C(c2ccncc2)=NC3)CN(Cc2ccccc2F)C1.COc1cccc(F)c1CN1CCCC(CC(=O)c2ccc3[nH]nc(-c4ccc5c(c4)CCO5)c3c2)C1.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(Cc5ccccc5F)C4)cc32)ccn1.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(Cc5ccccc5O)C4)cc32)ccn1.Cn1cc(CN2CCC[C@@H](CC(=O)c3ccc4c(c3)C(c3ccc5c(c3)CCO5)=NC4)C2)c2ccccc21.O=C(C[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccc2c(c1)C(c1ccnc(C(F)(F)F)c1)=NC2
• InChI: InChI=1S/C33H33N3O2.C30H30FN3O3.C28H25F4N3O.2C28H28FN3O.C28H29N3O2/c1-35-20-27(28-6-2-3-7-30(28)35)21-36-13-4-5-22(19-36)15-31(37)23-8-9-26-18-34-33(29(26)17-23)25-10-11-32-24(16-25)12-14-38-32;1-36-29-6-2-5-25(31)24(29)18-34-12-3-4-19(17-34)14-27(35)20-7-9-26-23(16-20)30(33-32-26)22-8-10-28-21(15-22)11-13-37-28;29-24-6-2-1-5-22(24)17-35-11-3-4-18(16-35)12-25(36)19-7-8-21-15-34-27(23(21)13-19)20-9-10-33-26(14-20)28(30,31)32;1-19-13-22(10-11-30-19)28-25-15-21(8-9-23(25)16-31-28)27(33)14-20-5-4-12-32(17-20)18-24-6-2-3-7-26(24)29;1-19-12-20(17-32(16-19)18-24-4-2-3-5-26(24)29)13-27(33)22-6-7-23-15-31-28(25(23)14-22)21-8-10-30-11-9-21;1-19-13-22(10-11-29-19)28-25-15-21(8-9-23(25)16-30-28)27(33)14-20-5-4-12-31(17-20)18-24-6-2-3-7-26(24)32/h2-3,6-11,16-17,20,22H,4-5,12-15,18-19,21H2,1H3;2,5-10,15-16,19H,3-4,11-14,17-18H2,1H3,(H,32,33);1-2,5-10,13-14,18H,3-4,11-12,15-17H2;2-3,6-11,13,15,20H,4-5,12,14,16-18H2,1H3;2-11,14,19-20H,12-13,15-18H2,1H3;2-3,6-11,13,15,20,32H,4-5,12,14,16-18H2,1H3/t22-;;18-;20-;;20-/m0.00.0/s1
• InChIKey: NOCRZPYITYBTAE-FXDNGGNFSA-N
• XLogP: 33.42
• TPSA: 316.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 37
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2821.41
LogP ≤ 5	33.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone?

The IUPAC name of 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone (CID 159836293) is 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone.

What is the SMILES notation for 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone?

The canonical SMILES for 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone is CC1CC(CC(=O)c2ccc3c(c2)C(c2ccncc2)=NC3)CN(Cc2ccccc2F)C1.COc1cccc(F)c1CN1CCCC(CC(=O)c2ccc3[nH]nc(-c4ccc5c(c4)CCO5)c3c2)C1.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(Cc5ccccc5F)C4)cc32)ccn1.Cc1cc(C2=NCc3ccc(C(=O)C[C@@H]4CCCN(Cc5ccccc5O)C4)cc32)ccn1.Cn1cc(CN2CCC[C@@H](CC(=O)c3ccc4c(c3)C(c3ccc5c(c3)CCO5)=NC4)C2)c2ccccc21.O=C(C[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccc2c(c1)C(c1ccnc(C(F)(F)F)c1)=NC2.

What is the InChIKey of 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone?

The InChIKey is NOCRZPYITYBTAE-FXDNGGNFSA-N. The full InChI is InChI=1S/C33H33N3O2.C30H30FN3O3.C28H25F4N3O.2C28H28FN3O.C28H29N3O2/c1-35-20-27(28-6-2-3-7-30(28)35)21-36-13-4-5-22(19-36)15-31(37)23-8-9-26-18-34-33(29(26)17-23)25-10-11-32-24(16-25)12-14-38-32;1-36-29-6-2-5-25(31)24(29)18-34-12-3-4-19(17-34)14-27(35)20-7-9-26-23(16-20)30(33-32-26)22-8-10-28-21(15-22)11-13-37-28;29-24-6-2-1-5-22(24)17-35-11-3-4-18(16-35)12-25(36)19-7-8-21-15-34-27(23(21)13-19)20-9-10-33-26(14-20)28(30,31)32;1-19-13-22(10-11-30-19)28-25-15-21(8-9-23(25)16-31-28)27(33)14-20-5-4-12-32(17-20)18-24-6-2-3-7-26(24)29;1-19-12-20(17-32(16-19)18-24-4-2-3-5-26(24)29)13-27(33)22-6-7-23-15-31-28(25(23)14-22)21-8-10-30-11-9-21;1-19-13-22(10-11-29-19)28-25-15-21(8-9-23(25)16-30-28)27(33)14-20-5-4-12-31(17-20)18-24-6-2-3-7-26(24)32/h2-3,6-11,16-17,20,22H,4-5,12-15,18-19,21H2,1H3;2,5-10,15-16,19H,3-4,11-14,17-18H2,1H3,(H,32,33);1-2,5-10,13-14,18H,3-4,11-12,15-17H2;2-3,6-11,13,15,20H,4-5,12,14,16-18H2,1H3;2-11,14,19-20H,12-13,15-18H2,1H3;2-3,6-11,13,15,20,32H,4-5,12,14,16-18H2,1H3/t22-;;18-;20-;;20-/m0.00.0/s1.

What are the key properties of 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone?

1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone has a molecular weight of 2821.41 g/mol, XLogP of 33.42, 37 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone is sourced from PubChem (CID 159836293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).