1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide

C127H150ClN13O10 — CID 157356039

IUPAC1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCC(C)C)cn(CCCNC3Cc4ccccc4C3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCNC3Cc4ccccc4C3)c12.COc1cccc2c(C(=O)NCc3ccccc3C)cn(CCCN3CCCN(CCCOc4ccccc4)CC3)c12
InChIInChI=1S/C36H40ClN3O3.C35H44N4O3.C30H33N3O2.C26H33N3O2/c1-24-6-3-7-25(18-24)22-38-36(42)32-23-39(35-31(32)8-4-9-34(35)43-2)16-5-17-40-29-14-15-30(40)20-26(19-29)21-33(41)27-10-12-28(37)13-11-27;1-28-12-6-7-13-29(28)26-36-35(40)32-27-39(34-31(32)16-8-17-33(34)41-2)22-10-20-37-18-9-19-38(24-23-37)21-11-25-42-30-14-4-3-5-15-30;1-21-8-5-9-22(16-21)19-32-30(34)27-20-33(29-26(27)12-6-13-28(29)35-2)15-7-14-31-25-17-23-10-3-4-11-24(23)18-25;1-18(2)16-28-26(30)23-17-29(25-22(23)10-6-11-24(25)31-3)13-7-12-27-21-14-19-8-4-5-9-20(19)15-21/h3-4,6-13,18,23,26,29-30H,5,14-17,19-22H2,1-2H3,(H,38,42);3-8,12-17,27H,9-11,18-26H2,1-2H3,(H,36,40);3-6,8-13,16,20,25,31H,7,14-15,17-19H2,1-2H3,(H,32,34);4-6,8-11,17-18,21,27H,7,12-16H2,1-3H3,(H,28,30)
InChIKeyBICAIDFJTXVGFM-UHFFFAOYSA-N
MW2054.13 g/mol
LogP22.42
Rot. Bonds42

About 1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide

1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide (PubChem CID 157356039) has the molecular formula C127H150ClN13O10 and a molecular weight of 2054.13 g/mol. Its IUPAC name is 1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
PubChem CID157356039
Molecular FormulaC127H150ClN13O10
Molecular Weight2054.13 g/mol
Exact Mass2052.13
IUPAC Name1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCC(C)C)cn(CCCNC3Cc4ccccc4C3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCNC3Cc4ccccc4C3)c12.COc1cccc2c(C(=O)NCc3ccccc3C)cn(CCCN3CCCN(CCCOc4ccccc4)CC3)c12
InChIInChI=1S/C36H40ClN3O3.C35H44N4O3.C30H33N3O2.C26H33N3O2/c1-24-6-3-7-25(18-24)22-38-36(42)32-23-39(35-31(32)8-4-9-34(35)43-2)16-5-17-40-29-14-15-30(40)20-26(19-29)21-33(41)27-10-12-28(37)13-11-27;1-28-12-6-7-13-29(28)26-36-35(40)32-27-39(34-31(32)16-8-17-33(34)41-2)22-10-20-37-18-9-19-38(24-23-37)21-11-25-42-30-14-4-3-5-15-30;1-21-8-5-9-22(16-21)19-32-30(34)27-20-33(29-26(27)12-6-13-28(29)35-2)15-7-14-31-25-17-23-10-3-4-11-24(23)18-25;1-18(2)16-28-26(30)23-17-29(25-22(23)10-6-11-24(25)31-3)13-7-12-27-21-14-19-8-4-5-9-20(19)15-21/h3-4,6-13,18,23,26,29-30H,5,14-17,19-22H2,1-2H3,(H,38,42);3-8,12-17,27H,9-11,18-26H2,1-2H3,(H,36,40);3-6,8-13,16,20,25,31H,7,14-15,17-19H2,1-2H3,(H,32,34);4-6,8-11,17-18,21,27H,7,12-16H2,1-3H3,(H,28,30)
InChIKeyBICAIDFJTXVGFM-UHFFFAOYSA-N
XLogP22.42
TPSA233.12 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds42
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002054.13
LogP ≤ 522.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide with MolForge

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Related Compounds

1-[3-[(1R,5S)-3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58968216
1-[3-[3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58968412
1-[3-[3-[1-[2-[[[1-[3-[(5S)-3-[2-(3,5-dichlorophenyl)-2-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carbonyl]amino]methyl]-3-bicyclo[3.1.0]hexa-1,5-dienyl]-3-(4-fluorophenoxy)propan-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide
CID 143502685
1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 58967543
1-[3-[3-[2-(3-chlorophenyl)-2-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967625
1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 58967711
1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967975
1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 58967977
1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 58968128
1-[3-[(1R,5S)-3-[2-(3-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide
CID 58968175
1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide
CID 58968190
1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58968195

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide?
The IUPAC name of 1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide (CID 157356039) is 1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide.
What is the SMILES notation for 1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide?
The canonical SMILES for 1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide is COc1cccc2c(C(=O)NCC(C)C)cn(CCCNC3Cc4ccccc4C3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCNC3Cc4ccccc4C3)c12.COc1cccc2c(C(=O)NCc3ccccc3C)cn(CCCN3CCCN(CCCOc4ccccc4)CC3)c12.
What is the InChIKey of 1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide?
The InChIKey is BICAIDFJTXVGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40ClN3O3.C35H44N4O3.C30H33N3O2.C26H33N3O2/c1-24-6-3-7-25(18-24)22-38-36(42)32-23-39(35-31(32)8-4-9-34(35)43-2)16-5-17-40-29-14-15-30(40)20-26(19-29)21-33(41)27-10-12-28(37)13-11-27;1-28-12-6-7-13-29(28)26-36-35(40)32-27-39(34-31(32)16-8-17-33(34)41-2)22-10-20-37-18-9-19-38(24-23-37)21-11-25-42-30-14-4-3-5-15-30;1-21-8-5-9-22(16-21)19-32-30(34)27-20-33(29-26(27)12-6-13-28(29)35-2)15-7-14-31-25-17-23-10-3-4-11-24(23)18-25;1-18(2)16-28-26(30)23-17-29(25-22(23)10-6-11-24(25)31-3)13-7-12-27-21-14-19-8-4-5-9-20(19)15-21/h3-4,6-13,18,23,26,29-30H,5,14-17,19-22H2,1-2H3,(H,38,42);3-8,12-17,27H,9-11,18-26H2,1-2H3,(H,36,40);3-6,8-13,16,20,25,31H,7,14-15,17-19H2,1-2H3,(H,32,34);4-6,8-11,17-18,21,27H,7,12-16H2,1-3H3,(H,28,30).
What are the key properties of 1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide?
1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide has a molecular weight of 2054.13 g/mol, XLogP of 22.42, 42 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide is sourced from PubChem (CID 157356039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).