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

C132H179Cl4N19O9 — CID 157458877

IUPACN-[(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
SMILESCCc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCN(CC(=O)N4CCOCC4)CC3)c12.CCc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCN(CCN(C(C)C)C(C)C)CC3)c12.COc1cccc2c(C(=O)NCc3ccccc3C)cn(CCCN3CCN(CCOc4ccccc4)CC3)c12.Cc1cccc(CNC(=O)c2cn(CCCN3CCN(CCN(C(C)C)C(C)C)CC3)c3c(OC(C)C)cccc23)c1
InChIInChI=1S/C35H53N5O2.C33H47Cl2N5O.C33H40N4O3.C31H39Cl2N5O3/c1-26(2)40(27(3)4)22-21-38-19-17-37(18-20-38)15-10-16-39-25-32(31-13-9-14-33(34(31)39)42-28(5)6)35(41)36-24-30-12-8-11-29(7)23-30;1-6-27-9-7-10-28-29(33(41)36-22-26-11-12-30(34)31(35)21-26)23-39(32(27)28)14-8-13-37-15-17-38(18-16-37)19-20-40(24(2)3)25(4)5;1-26-10-6-7-11-27(26)24-34-33(38)30-25-37(32-29(30)14-8-15-31(32)39-2)17-9-16-35-18-20-36(21-19-35)22-23-40-28-12-4-3-5-13-28;1-2-24-5-3-6-25-26(31(40)34-20-23-7-8-27(32)28(33)19-23)21-38(30(24)25)10-4-9-35-11-13-36(14-12-35)22-29(39)37-15-17-41-18-16-37/h8-9,11-14,23,25-28H,10,15-22,24H2,1-7H3,(H,36,41);7,9-12,21,23-25H,6,8,13-20,22H2,1-5H3,(H,36,41);3-8,10-15,25H,9,16-24H2,1-2H3,(H,34,38);3,5-8,19,21H,2,4,9-18,20,22H2,1H3,(H,34,40)
InChIKeyBTRMOUATQUNXEL-UHFFFAOYSA-N
MW2317.82 g/mol
LogP21.64
Rot. Bonds49

About 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

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 (PubChem CID 157458877) has the molecular formula C132H179Cl4N19O9 and a molecular weight of 2317.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID157458877
Molecular FormulaC132H179Cl4N19O9
Molecular Weight2317.82 g/mol
Exact Mass2314.29
IUPAC NameN-[(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
SMILESCCc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCN(CC(=O)N4CCOCC4)CC3)c12.CCc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCN(CCN(C(C)C)C(C)C)CC3)c12.COc1cccc2c(C(=O)NCc3ccccc3C)cn(CCCN3CCN(CCOc4ccccc4)CC3)c12.Cc1cccc(CNC(=O)c2cn(CCCN3CCN(CCN(C(C)C)C(C)C)CC3)c3c(OC(C)C)cccc23)c1
InChIInChI=1S/C35H53N5O2.C33H47Cl2N5O.C33H40N4O3.C31H39Cl2N5O3/c1-26(2)40(27(3)4)22-21-38-19-17-37(18-20-38)15-10-16-39-25-32(31-13-9-14-33(34(31)39)42-28(5)6)35(41)36-24-30-12-8-11-29(7)23-30;1-6-27-9-7-10-28-29(33(41)36-22-26-11-12-30(34)31(35)21-26)23-39(32(27)28)14-8-13-37-15-17-38(18-16-37)19-20-40(24(2)3)25(4)5;1-26-10-6-7-11-27(26)24-34-33(38)30-25-37(32-29(30)14-8-15-31(32)39-2)17-9-16-35-18-20-36(21-19-35)22-23-40-28-12-4-3-5-13-28;1-2-24-5-3-6-25-26(31(40)34-20-23-7-8-27(32)28(33)19-23)21-38(30(24)25)10-4-9-35-11-13-36(14-12-35)22-29(39)37-15-17-41-18-16-37/h8-9,11-14,23,25-28H,10,15-22,24H2,1-7H3,(H,36,41);7,9-12,21,23-25H,6,8,13-20,22H2,1-5H3,(H,36,41);3-8,10-15,25H,9,16-24H2,1-2H3,(H,34,38);3,5-8,19,21H,2,4,9-18,20,22H2,1H3,(H,34,40)
InChIKeyBTRMOUATQUNXEL-UHFFFAOYSA-N
XLogP21.64
TPSA225.75 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds49
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002317.82
LogP ≤ 521.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 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 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-[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-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
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
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-methoxyindole-3-carboxamide
CID 58968472
1-[3-[3-[2-(3-chloro-4-fluorophenyl)-2-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3,4-dichlorophenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58968542

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCN(CC(=O)N4CCOCC4)CC3)c12.CCc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCN(CCN(C(C)C)C(C)C)CC3)c12.COc1cccc2c(C(=O)NCc3ccccc3C)cn(CCCN3CCN(CCOc4ccccc4)CC3)c12.Cc1cccc(CNC(=O)c2cn(CCCN3CCN(CCN(C(C)C)C(C)C)CC3)c3c(OC(C)C)cccc23)c1.
What is the InChIKey of 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?
The InChIKey is BTRMOUATQUNXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H53N5O2.C33H47Cl2N5O.C33H40N4O3.C31H39Cl2N5O3/c1-26(2)40(27(3)4)22-21-38-19-17-37(18-20-38)15-10-16-39-25-32(31-13-9-14-33(34(31)39)42-28(5)6)35(41)36-24-30-12-8-11-29(7)23-30;1-6-27-9-7-10-28-29(33(41)36-22-26-11-12-30(34)31(35)21-26)23-39(32(27)28)14-8-13-37-15-17-38(18-16-37)19-20-40(24(2)3)25(4)5;1-26-10-6-7-11-27(26)24-34-33(38)30-25-37(32-29(30)14-8-15-31(32)39-2)17-9-16-35-18-20-36(21-19-35)22-23-40-28-12-4-3-5-13-28;1-2-24-5-3-6-25-26(31(40)34-20-23-7-8-27(32)28(33)19-23)21-38(30(24)25)10-4-9-35-11-13-36(14-12-35)22-29(39)37-15-17-41-18-16-37/h8-9,11-14,23,25-28H,10,15-22,24H2,1-7H3,(H,36,41);7,9-12,21,23-25H,6,8,13-20,22H2,1-5H3,(H,36,41);3-8,10-15,25H,9,16-24H2,1-2H3,(H,34,38);3,5-8,19,21H,2,4,9-18,20,22H2,1H3,(H,34,40).
What are the key properties of 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?
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 has a molecular weight of 2317.82 g/mol, XLogP of 21.64, 49 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157458877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).