[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;[3-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]-hydroxymethyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone

C103H109Cl6F11N10O7 — CID 158195576

About [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;[3-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]-hydroxymethyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone

[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;[3-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]-hydroxymethyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone (PubChem CID 158195576) has the molecular formula C103H109Cl6F11N10O7 and a molecular weight of 2020.76 g/mol. Its IUPAC name is [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;[3-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]-hydroxymethyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;[3-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]-hydroxymethyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone
• PubChem CID: 158195576
• Molecular Formula: C103H109Cl6F11N10O7
• Molecular Weight: 2020.76 g/mol
• Exact Mass: 2016.64
• IUPAC Name: [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;[3-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]-hydroxymethyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone
• SMILES: C=C(O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(F)(F)F)cc(C)c43)c2Cl)CC1.Cc1cc(C(F)(F)F)cc2[nH]c(Cc3c(Cl)ccc(C(=O)N4CCC(N(C)C)CC4)c3Cl)cc12.Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(N(C)C)CC3)c1Cl)n2C.Cc1ccc(C(=O)N2CCOCC2)c(C)c1C(O)c1cc2c(C)cc(C(C)(F)F)cc2n1C
• InChI: InChI=1S/C26H28Cl2F3N3O.C26H25Cl2F3N2O2.C26H30F2N2O3.C25H26Cl2F3N3O/c1-15-11-16(26(29,30)31)12-23-20(15)13-18(33(23)4)14-21-22(27)6-5-19(24(21)28)25(35)34-9-7-17(8-10-34)32(2)3;1-15-11-19(26(29,30)31)13-18-7-10-33(24(15)18)14-21-22(27)4-3-20(23(21)28)25(35)32-8-5-17(6-9-32)12-16(2)34;1-15-6-7-19(25(32)30-8-10-33-11-9-30)17(3)23(15)24(31)22-14-20-16(2)12-18(26(4,27)28)13-21(20)29(22)5;1-14-10-15(25(28,29)30)11-22-19(14)12-16(31-22)13-20-21(26)5-4-18(23(20)27)24(34)33-8-6-17(7-9-33)32(2)3/h5-6,11-13,17H,7-10,14H2,1-4H3;3-4,7,10-11,13,17,34H,2,5-6,8-9,12,14H2,1H3;6-7,12-14,24,31H,8-11H2,1-5H3;4-5,10-12,17,31H,6-9,13H2,1-3H3
• InChIKey: GAHLAHXINQRFDO-UHFFFAOYSA-N
• XLogP: 25.54
• TPSA: 167.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2020.76
LogP ≤ 5	25.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;[3-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]-hydroxymethyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone?

The IUPAC name of [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;[3-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]-hydroxymethyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone (CID 158195576) is [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;[3-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]-hydroxymethyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone.

What is the SMILES notation for [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;[3-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]-hydroxymethyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone?

The canonical SMILES for [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;[3-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]-hydroxymethyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone is C=C(O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(F)(F)F)cc(C)c43)c2Cl)CC1.Cc1cc(C(F)(F)F)cc2[nH]c(Cc3c(Cl)ccc(C(=O)N4CCC(N(C)C)CC4)c3Cl)cc12.Cc1cc(C(F)(F)F)cc2c1cc(Cc1c(Cl)ccc(C(=O)N3CCC(N(C)C)CC3)c1Cl)n2C.Cc1ccc(C(=O)N2CCOCC2)c(C)c1C(O)c1cc2c(C)cc(C(C)(F)F)cc2n1C.

What is the InChIKey of [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;[3-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]-hydroxymethyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone?

The InChIKey is GAHLAHXINQRFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2F3N3O.C26H25Cl2F3N2O2.C26H30F2N2O3.C25H26Cl2F3N3O/c1-15-11-16(26(29,30)31)12-23-20(15)13-18(33(23)4)14-21-22(27)6-5-19(24(21)28)25(35)34-9-7-17(8-10-34)32(2)3;1-15-11-19(26(29,30)31)13-18-7-10-33(24(15)18)14-21-22(27)4-3-20(23(21)28)25(35)32-8-5-17(6-9-32)12-16(2)34;1-15-6-7-19(25(32)30-8-10-33-11-9-30)17(3)23(15)24(31)22-14-20-16(2)12-18(26(4,27)28)13-21(20)29(22)5;1-14-10-15(25(28,29)30)11-22-19(14)12-16(31-22)13-20-21(26)5-4-18(23(20)27)24(34)33-8-6-17(7-9-33)32(2)3/h5-6,11-13,17H,7-10,14H2,1-4H3;3-4,7,10-11,13,17,34H,2,5-6,8-9,12,14H2,1H3;6-7,12-14,24,31H,8-11H2,1-5H3;4-5,10-12,17,31H,6-9,13H2,1-3H3.

What are the key properties of [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;[3-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]-hydroxymethyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone?

[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;[3-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]-hydroxymethyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone has a molecular weight of 2020.76 g/mol, XLogP of 25.54, 17 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[4-methyl-6-(trifluoromethyl)-1H-indol-2-yl]methyl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indol-1-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;[3-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]-hydroxymethyl]-2,4-dimethylphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 158195576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).