N-benzyl-7-ethyl-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide

C180H201Cl12FN16O14 — CID 158325468

IUPACN-benzyl-7-ethyl-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
SMILESCC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCC(CCOc4ccccc4)CC3)c12.CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3[C@@H]4CC[C@H]3CC(CC(=O)c3ccc(Cl)c(Cl)c3)C4)c12.CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3[C@@H]4CC[C@H]3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3[C@@H]4CC[C@H]3CC(CC(=O)c3ccc(F)c(Cl)c3)C4)c12.CCc1cccc2c(C(=O)NCc3ccccc3)cn(CCCN3CCCN(CCOc4ccccc4)CC3)c12
InChIInChI=1S/C37H39Cl4N3O3.C37H39Cl3FN3O3.C37H40Cl3N3O3.C35H41Cl2N3O3.C34H42N4O2/c1-22(2)47-35-6-3-5-28-29(37(46)42-20-23-7-11-30(38)32(40)17-23)21-43(36(28)35)13-4-14-44-26-9-10-27(44)16-24(15-26)18-34(45)25-8-12-31(39)33(41)19-25;1-22(2)47-35-6-3-5-28-29(37(46)42-20-23-7-11-30(38)31(39)17-23)21-43(36(28)35)13-4-14-44-26-9-10-27(44)16-24(15-26)18-34(45)25-8-12-33(41)32(40)19-25;1-23(2)46-35-6-3-5-30-31(37(45)41-21-24-7-14-32(39)33(40)19-24)22-42(36(30)35)15-4-16-43-28-12-13-29(43)18-25(17-28)20-34(44)26-8-10-27(38)11-9-26;1-25(2)43-33-11-6-10-29-30(35(41)38-23-27-12-13-31(36)32(37)22-27)24-40(34(29)33)18-7-17-39-19-14-26(15-20-39)16-21-42-28-8-4-3-5-9-28;1-2-29-14-9-17-31-32(34(39)35-26-28-12-5-3-6-13-28)27-38(33(29)31)21-11-20-36-18-10-19-37(23-22-36)24-25-40-30-15-7-4-8-16-30/h2*3,5-8,11-12,17,19,21-22,24,26-27H,4,9-10,13-16,18,20H2,1-2H3,(H,42,46);3,5-11,14,19,22-23,25,28-29H,4,12-13,15-18,20-21H2,1-2H3,(H,41,45);3-6,8-13,22,24-26H,7,14-21,23H2,1-2H3,(H,38,41);3-9,12-17,27H,2,10-11,18-26H2,1H3,(H,35,39)/t2*24?,26-,27+;25?,28-,29+;;
InChIKeyGPITYKXLFZXZKT-QHQFQUHGSA-N
MW3257.12 g/mol
LogP42.31
Rot. Bonds61

About N-benzyl-7-ethyl-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide

N-benzyl-7-ethyl-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide (PubChem CID 158325468) has the molecular formula C180H201Cl12FN16O14 and a molecular weight of 3257.12 g/mol. Its IUPAC name is N-benzyl-7-ethyl-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-ethyl-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
PubChem CID158325468
Molecular FormulaC180H201Cl12FN16O14
Molecular Weight3257.12 g/mol
Exact Mass3249.18
IUPAC NameN-benzyl-7-ethyl-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
SMILESCC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCC(CCOc4ccccc4)CC3)c12.CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3[C@@H]4CC[C@H]3CC(CC(=O)c3ccc(Cl)c(Cl)c3)C4)c12.CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3[C@@H]4CC[C@H]3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3[C@@H]4CC[C@H]3CC(CC(=O)c3ccc(F)c(Cl)c3)C4)c12.CCc1cccc2c(C(=O)NCc3ccccc3)cn(CCCN3CCCN(CCOc4ccccc4)CC3)c12
InChIInChI=1S/C37H39Cl4N3O3.C37H39Cl3FN3O3.C37H40Cl3N3O3.C35H41Cl2N3O3.C34H42N4O2/c1-22(2)47-35-6-3-5-28-29(37(46)42-20-23-7-11-30(38)32(40)17-23)21-43(36(28)35)13-4-14-44-26-9-10-27(44)16-24(15-26)18-34(45)25-8-12-31(39)33(41)19-25;1-22(2)47-35-6-3-5-28-29(37(46)42-20-23-7-11-30(38)31(39)17-23)21-43(36(28)35)13-4-14-44-26-9-10-27(44)16-24(15-26)18-34(45)25-8-12-33(41)32(40)19-25;1-23(2)46-35-6-3-5-30-31(37(45)41-21-24-7-14-32(39)33(40)19-24)22-42(36(30)35)15-4-16-43-28-12-13-29(43)18-25(17-28)20-34(44)26-8-10-27(38)11-9-26;1-25(2)43-33-11-6-10-29-30(35(41)38-23-27-12-13-31(36)32(37)22-27)24-40(34(29)33)18-7-17-39-19-14-26(15-20-39)16-21-42-28-8-4-3-5-9-28;1-2-29-14-9-17-31-32(34(39)35-26-28-12-5-3-6-13-28)27-38(33(29)31)21-11-20-36-18-10-19-37(23-22-36)24-25-40-30-15-7-4-8-16-30/h2*3,5-8,11-12,17,19,21-22,24,26-27H,4,9-10,13-16,18,20H2,1-2H3,(H,42,46);3,5-11,14,19,22-23,25,28-29H,4,12-13,15-18,20-21H2,1-2H3,(H,41,45);3-6,8-13,22,24-26H,7,14-21,23H2,1-2H3,(H,38,41);3-9,12-17,27H,2,10-11,18-26H2,1H3,(H,35,39)/t2*24?,26-,27+;25?,28-,29+;;
InChIKeyGPITYKXLFZXZKT-QHQFQUHGSA-N
XLogP42.31
TPSA296.18 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds61
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003257.12
LogP ≤ 542.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze N-benzyl-7-ethyl-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide with MolForge

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,4R)-5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967613
N-[(3,4-dichlorophenyl)methyl]-1-[3-[5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-7-methoxyindole-3-carboxamide
CID 58967670
N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967729
N-[(3,4-dichlorophenyl)methyl]-1-[3-[5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967749
N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,4R)-5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-7-methoxyindole-3-carboxamide
CID 58967761
N-[(3,4-dichlorophenyl)methyl]-1-[3-[3-[2-(4-fluorophenoxy)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967847
N-[(3,4-dichlorophenyl)methyl]-1-[3-[3-[2-(4-fluorophenoxy)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide
CID 58967961
1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58967962
1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58968176
N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(4-fluorophenoxy)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58968177
1-[3-[3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58968183
N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58968203

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-ethyl-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide?
The IUPAC name of N-benzyl-7-ethyl-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide (CID 158325468) is N-benzyl-7-ethyl-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide.
What is the SMILES notation for N-benzyl-7-ethyl-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide?
The canonical SMILES for N-benzyl-7-ethyl-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide is CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCC(CCOc4ccccc4)CC3)c12.CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3[C@@H]4CC[C@H]3CC(CC(=O)c3ccc(Cl)c(Cl)c3)C4)c12.CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3[C@@H]4CC[C@H]3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3[C@@H]4CC[C@H]3CC(CC(=O)c3ccc(F)c(Cl)c3)C4)c12.CCc1cccc2c(C(=O)NCc3ccccc3)cn(CCCN3CCCN(CCOc4ccccc4)CC3)c12.
What is the InChIKey of N-benzyl-7-ethyl-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide?
The InChIKey is GPITYKXLFZXZKT-QHQFQUHGSA-N. The full InChI is InChI=1S/C37H39Cl4N3O3.C37H39Cl3FN3O3.C37H40Cl3N3O3.C35H41Cl2N3O3.C34H42N4O2/c1-22(2)47-35-6-3-5-28-29(37(46)42-20-23-7-11-30(38)32(40)17-23)21-43(36(28)35)13-4-14-44-26-9-10-27(44)16-24(15-26)18-34(45)25-8-12-31(39)33(41)19-25;1-22(2)47-35-6-3-5-28-29(37(46)42-20-23-7-11-30(38)31(39)17-23)21-43(36(28)35)13-4-14-44-26-9-10-27(44)16-24(15-26)18-34(45)25-8-12-33(41)32(40)19-25;1-23(2)46-35-6-3-5-30-31(37(45)41-21-24-7-14-32(39)33(40)19-24)22-42(36(30)35)15-4-16-43-28-12-13-29(43)18-25(17-28)20-34(44)26-8-10-27(38)11-9-26;1-25(2)43-33-11-6-10-29-30(35(41)38-23-27-12-13-31(36)32(37)22-27)24-40(34(29)33)18-7-17-39-19-14-26(15-20-39)16-21-42-28-8-4-3-5-9-28;1-2-29-14-9-17-31-32(34(39)35-26-28-12-5-3-6-13-28)27-38(33(29)31)21-11-20-36-18-10-19-37(23-22-36)24-25-40-30-15-7-4-8-16-30/h2*3,5-8,11-12,17,19,21-22,24,26-27H,4,9-10,13-16,18,20H2,1-2H3,(H,42,46);3,5-11,14,19,22-23,25,28-29H,4,12-13,15-18,20-21H2,1-2H3,(H,41,45);3-6,8-13,22,24-26H,7,14-21,23H2,1-2H3,(H,38,41);3-9,12-17,27H,2,10-11,18-26H2,1H3,(H,35,39)/t2*24?,26-,27+;25?,28-,29+;;.
What are the key properties of N-benzyl-7-ethyl-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide?
N-benzyl-7-ethyl-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide has a molecular weight of 3257.12 g/mol, XLogP of 42.31, 61 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-ethyl-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide is sourced from PubChem (CID 158325468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).