1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide

C143H176ClN17O12 — CID 158930283

IUPAC1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3[C@@H]4CC[C@H]3CC(CC(=O)c3ccccn3)C4)c12.Cc1cccc(CNC(=O)c2cn(CCCN3CCCN(CCc4ccccc4)CC3)c3c(OC(C)C)cccc23)c1.Cc1cccc(CNC(=O)c2cn(CCCN3CCN(CC(=O)N4CCOCC4)CC3)c3c(OC(C)C)cccc23)c1.Cc1cccc(CNC(=O)c2cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c3c(OC(C)C)cccc23)c1
InChIInChI=1S/C39H45ClN4O3.C36H46N4O2.C35H40N4O3.C33H45N5O4/c1-28(2)47-37-14-7-13-33-34(39(45)41-26-30-10-6-9-29(3)25-30)27-44(38(33)37)18-8-17-42-19-21-43(22-20-42)23-24-46-36-16-15-35(40)31-11-4-5-12-32(31)36;1-28(2)42-34-16-8-15-32-33(36(41)37-26-31-14-7-11-29(3)25-31)27-40(35(32)34)21-10-20-38-18-9-19-39(24-23-38)22-17-30-12-5-4-6-13-30;1-24-8-5-9-25(18-24)22-37-35(41)30-23-38(34-29(30)10-6-12-33(34)42-2)16-7-17-39-27-13-14-28(39)20-26(19-27)21-32(40)31-11-3-4-15-36-31;1-25(2)42-30-10-5-9-28-29(33(40)34-22-27-8-4-7-26(3)21-27)23-38(32(28)30)12-6-11-35-13-15-36(16-14-35)24-31(39)37-17-19-41-20-18-37/h4-7,9-16,25,27-28H,8,17-24,26H2,1-3H3,(H,41,45);4-8,11-16,25,27-28H,9-10,17-24,26H2,1-3H3,(H,37,41);3-6,8-12,15,18,23,26-28H,7,13-14,16-17,19-22H2,1-2H3,(H,37,41);4-5,7-10,21,23,25H,6,11-20,22,24H2,1-3H3,(H,34,40)/t;;26?,27-,28+;
InChIKeyJIYSVZZPVBOBDG-POKXOEISSA-N
MW2360.54 g/mol
LogP23.59
Rot. Bonds47

About 1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide

1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide (PubChem CID 158930283) has the molecular formula C143H176ClN17O12 and a molecular weight of 2360.54 g/mol. Its IUPAC name is 1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide.

Molecular Properties

Compound Name1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
PubChem CID158930283
Molecular FormulaC143H176ClN17O12
Molecular Weight2360.54 g/mol
Exact Mass2358.34
IUPAC Name1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3[C@@H]4CC[C@H]3CC(CC(=O)c3ccccn3)C4)c12.Cc1cccc(CNC(=O)c2cn(CCCN3CCCN(CCc4ccccc4)CC3)c3c(OC(C)C)cccc23)c1.Cc1cccc(CNC(=O)c2cn(CCCN3CCN(CC(=O)N4CCOCC4)CC3)c3c(OC(C)C)cccc23)c1.Cc1cccc(CNC(=O)c2cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c3c(OC(C)C)cccc23)c1
InChIInChI=1S/C39H45ClN4O3.C36H46N4O2.C35H40N4O3.C33H45N5O4/c1-28(2)47-37-14-7-13-33-34(39(45)41-26-30-10-6-9-29(3)25-30)27-44(38(33)37)18-8-17-42-19-21-43(22-20-42)23-24-46-36-16-15-35(40)31-11-4-5-12-32(31)36;1-28(2)42-34-16-8-15-32-33(36(41)37-26-31-14-7-11-29(3)25-31)27-40(35(32)34)21-10-20-38-18-9-19-39(24-23-38)22-17-30-12-5-4-6-13-30;1-24-8-5-9-25(18-24)22-37-35(41)30-23-38(34-29(30)10-6-12-33(34)42-2)16-7-17-39-27-13-14-28(39)20-26(19-27)21-32(40)31-11-3-4-15-36-31;1-25(2)42-30-10-5-9-28-29(33(40)34-22-27-8-4-7-26(3)21-27)23-38(32(28)30)12-6-11-35-13-15-36(16-14-35)24-31(39)37-17-19-41-20-18-37/h4-7,9-16,25,27-28H,8,17-24,26H2,1-3H3,(H,41,45);4-8,11-16,25,27-28H,9-10,17-24,26H2,1-3H3,(H,37,41);3-6,8-12,15,18,23,26-28H,7,13-14,16-17,19-22H2,1-2H3,(H,37,41);4-5,7-10,21,23,25H,6,11-20,22,24H2,1-3H3,(H,34,40)/t;;26?,27-,28+;
InChIKeyJIYSVZZPVBOBDG-POKXOEISSA-N
XLogP23.59
TPSA264.45 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds47
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002360.54
LogP ≤ 523.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide with MolForge

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Related Compounds

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
2-[8-[3-(3-Acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[4-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]piperazin-1-yl]-1-morpholin-4-ylethanone;1-[1-[3-(4-butylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;4-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]butan-2-one;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 160952053
1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58968028
CID 157109693
CID 157109693
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
N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-[di(propan-2-yl)amino]ethyl]piperazin-1-yl]propyl]-7-ethylindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-7-ethyl-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]indole-3-carboxamide;1-[3-[4-[2-[di(propan-2-yl)amino]ethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indole-3-carboxamide
CID 157458877
N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-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;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
CID 157493977
1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;7-methoxy-N-(2-methylpropyl)-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide
CID 157508616
1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
CID 157518379
1-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-N-[(3,4-dichlorophenyl)methyl]-7-ethylindole-3-carboxamide;1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]indole-3-carboxamide
CID 157534915
1-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-N-[(3,4-dichlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[(1-benzylpyrrolidin-3-yl)amino]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]indole-3-carboxamide
CID 157584116
1-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-ethylindole-3-carboxamide;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;1-[3-[(1R,5S)-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide
CID 157743632

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide?
The IUPAC name of 1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide (CID 158930283) is 1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide.
What is the SMILES notation for 1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide?
The canonical SMILES for 1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide is COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3[C@@H]4CC[C@H]3CC(CC(=O)c3ccccn3)C4)c12.Cc1cccc(CNC(=O)c2cn(CCCN3CCCN(CCc4ccccc4)CC3)c3c(OC(C)C)cccc23)c1.Cc1cccc(CNC(=O)c2cn(CCCN3CCN(CC(=O)N4CCOCC4)CC3)c3c(OC(C)C)cccc23)c1.Cc1cccc(CNC(=O)c2cn(CCCN3CCN(CCOc4ccc(Cl)c5ccccc45)CC3)c3c(OC(C)C)cccc23)c1.
What is the InChIKey of 1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide?
The InChIKey is JIYSVZZPVBOBDG-POKXOEISSA-N. The full InChI is InChI=1S/C39H45ClN4O3.C36H46N4O2.C35H40N4O3.C33H45N5O4/c1-28(2)47-37-14-7-13-33-34(39(45)41-26-30-10-6-9-29(3)25-30)27-44(38(33)37)18-8-17-42-19-21-43(22-20-42)23-24-46-36-16-15-35(40)31-11-4-5-12-32(31)36;1-28(2)42-34-16-8-15-32-33(36(41)37-26-31-14-7-11-29(3)25-31)27-40(35(32)34)21-10-20-38-18-9-19-39(24-23-38)22-17-30-12-5-4-6-13-30;1-24-8-5-9-25(18-24)22-37-35(41)30-23-38(34-29(30)10-6-12-33(34)42-2)16-7-17-39-27-13-14-28(39)20-26(19-27)21-32(40)31-11-3-4-15-36-31;1-25(2)42-30-10-5-9-28-29(33(40)34-22-27-8-4-7-26(3)21-27)23-38(32(28)30)12-6-11-35-13-15-36(16-14-35)24-31(39)37-17-19-41-20-18-37/h4-7,9-16,25,27-28H,8,17-24,26H2,1-3H3,(H,41,45);4-8,11-16,25,27-28H,9-10,17-24,26H2,1-3H3,(H,37,41);3-6,8-12,15,18,23,26-28H,7,13-14,16-17,19-22H2,1-2H3,(H,37,41);4-5,7-10,21,23,25H,6,11-20,22,24H2,1-3H3,(H,34,40)/t;;26?,27-,28+;.
What are the key properties of 1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide?
1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide has a molecular weight of 2360.54 g/mol, XLogP of 23.59, 47 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[(1R,5S)-3-(2-oxo-2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide is sourced from PubChem (CID 158930283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).