1-(1-benzyl-2-propan-2-yl-6-pyrrolidin-3-yloxyindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;tert-butyl 3-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]oxypyrrolidine-1-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;ethyl 3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate

C155H159F9N10O15 — CID 158302193

About 1-(1-benzyl-2-propan-2-yl-6-pyrrolidin-3-yloxyindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;tert-butyl 3-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]oxypyrrolidine-1-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;ethyl 3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate

1-(1-benzyl-2-propan-2-yl-6-pyrrolidin-3-yloxyindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;tert-butyl 3-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]oxypyrrolidine-1-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;ethyl 3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate (PubChem CID 158302193) has the molecular formula C155H159F9N10O15 and a molecular weight of 2573.01 g/mol. Its IUPAC name is 1-(1-benzyl-2-propan-2-yl-6-pyrrolidin-3-yloxyindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;tert-butyl 3-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]oxypyrrolidine-1-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;ethyl 3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate.

Molecular Properties

• Compound Name: 1-(1-benzyl-2-propan-2-yl-6-pyrrolidin-3-yloxyindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;tert-butyl 3-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]oxypyrrolidine-1-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;ethyl 3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate
• PubChem CID: 158302193
• Molecular Formula: C155H159F9N10O15
• Molecular Weight: 2573.01 g/mol
• Exact Mass: 2571.18
• IUPAC Name: 1-(1-benzyl-2-propan-2-yl-6-pyrrolidin-3-yloxyindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;tert-butyl 3-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]oxypyrrolidine-1-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;ethyl 3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate
• SMILES: CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(OC3CCNC3)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(OC3CCOC3)cc2n1Cc1ccccn1.CCOC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1.CCOC(=O)c1ccc2c(C(=O)CCc3cccc(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1
• InChI: InChI=1S/C36H40F2N2O4.C31H32F2N2O2.C30H30F2N2O3.C29H28F2N2O3.C29H29FN2O3/c1-23(2)34-33(32(41)16-12-24-11-15-29(37)30(38)19-24)28-14-13-26(20-31(28)40(34)21-25-9-7-6-8-10-25)43-27-17-18-39(22-27)35(42)44-36(3,4)5;1-20(2)31-30(29(36)13-9-21-8-12-26(32)27(33)16-21)25-11-10-23(37-24-14-15-34-18-24)17-28(25)35(31)19-22-6-4-3-5-7-22;1-19(2)30-29(28(35)11-7-20-6-10-25(31)26(32)15-20)24-9-8-22(37-23-12-14-36-18-23)16-27(24)34(30)17-21-5-3-4-13-33-21;1-4-36-29(35)20-10-11-22-25(16-20)33(17-21-7-5-6-14-32-21)28(18(2)3)27(22)26(34)13-9-19-8-12-23(30)24(31)15-19;1-4-35-29(34)21-12-13-24-25(17-21)32(18-23-10-5-6-15-31-23)28(19(2)3)27(24)26(33)14-11-20-8-7-9-22(30)16-20/h6-11,13-15,19-20,23,27H,12,16-18,21-22H2,1-5H3;3-8,10-12,16-17,20,24,34H,9,13-15,18-19H2,1-2H3;3-6,8-10,13,15-16,19,23H,7,11-12,14,17-18H2,1-2H3;5-8,10-12,14-16,18H,4,9,13,17H2,1-3H3;5-10,12-13,15-17,19H,4,11,14,18H2,1-3H3
• InChIKey: GMPYSFXFSHHQGF-UHFFFAOYSA-N
• XLogP: 34.23
• TPSA: 279.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 45
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2573.01
LogP ≤ 5	34.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-propan-2-yl-6-pyrrolidin-3-yloxyindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;tert-butyl 3-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]oxypyrrolidine-1-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;ethyl 3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate?

The IUPAC name of 1-(1-benzyl-2-propan-2-yl-6-pyrrolidin-3-yloxyindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;tert-butyl 3-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]oxypyrrolidine-1-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;ethyl 3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate (CID 158302193) is 1-(1-benzyl-2-propan-2-yl-6-pyrrolidin-3-yloxyindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;tert-butyl 3-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]oxypyrrolidine-1-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;ethyl 3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate.

What is the SMILES notation for 1-(1-benzyl-2-propan-2-yl-6-pyrrolidin-3-yloxyindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;tert-butyl 3-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]oxypyrrolidine-1-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;ethyl 3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate?

The canonical SMILES for 1-(1-benzyl-2-propan-2-yl-6-pyrrolidin-3-yloxyindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;tert-butyl 3-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]oxypyrrolidine-1-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;ethyl 3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate is CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(OC3CCN(C(=O)OC(C)(C)C)C3)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(OC3CCNC3)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(OC3CCOC3)cc2n1Cc1ccccn1.CCOC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1.CCOC(=O)c1ccc2c(C(=O)CCc3cccc(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1.

What is the InChIKey of 1-(1-benzyl-2-propan-2-yl-6-pyrrolidin-3-yloxyindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;tert-butyl 3-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]oxypyrrolidine-1-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;ethyl 3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate?

The InChIKey is GMPYSFXFSHHQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40F2N2O4.C31H32F2N2O2.C30H30F2N2O3.C29H28F2N2O3.C29H29FN2O3/c1-23(2)34-33(32(41)16-12-24-11-15-29(37)30(38)19-24)28-14-13-26(20-31(28)40(34)21-25-9-7-6-8-10-25)43-27-17-18-39(22-27)35(42)44-36(3,4)5;1-20(2)31-30(29(36)13-9-21-8-12-26(32)27(33)16-21)25-11-10-23(37-24-14-15-34-18-24)17-28(25)35(31)19-22-6-4-3-5-7-22;1-19(2)30-29(28(35)11-7-20-6-10-25(31)26(32)15-20)24-9-8-22(37-23-12-14-36-18-23)16-27(24)34(30)17-21-5-3-4-13-33-21;1-4-36-29(35)20-10-11-22-25(16-20)33(17-21-7-5-6-14-32-21)28(18(2)3)27(22)26(34)13-9-19-8-12-23(30)24(31)15-19;1-4-35-29(34)21-12-13-24-25(17-21)32(18-23-10-5-6-15-31-23)28(19(2)3)27(24)26(33)14-11-20-8-7-9-22(30)16-20/h6-11,13-15,19-20,23,27H,12,16-18,21-22H2,1-5H3;3-8,10-12,16-17,20,24,34H,9,13-15,18-19H2,1-2H3;3-6,8-10,13,15-16,19,23H,7,11-12,14,17-18H2,1-2H3;5-8,10-12,14-16,18H,4,9,13,17H2,1-3H3;5-10,12-13,15-17,19H,4,11,14,18H2,1-3H3.

What are the key properties of 1-(1-benzyl-2-propan-2-yl-6-pyrrolidin-3-yloxyindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;tert-butyl 3-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]oxypyrrolidine-1-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;ethyl 3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate?

1-(1-benzyl-2-propan-2-yl-6-pyrrolidin-3-yloxyindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;tert-butyl 3-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]oxypyrrolidine-1-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;ethyl 3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate has a molecular weight of 2573.01 g/mol, XLogP of 34.23, 45 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzyl-2-propan-2-yl-6-pyrrolidin-3-yloxyindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;tert-butyl 3-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]oxypyrrolidine-1-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;ethyl 3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[3-(3-fluorophenyl)propanoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate is sourced from PubChem (CID 158302193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).