[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-1-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-2-ylethyl)piperazin-1-yl]methanone

C127H155N15O4 — CID 157349924

IUPAC[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-1-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-2-ylethyl)piperazin-1-yl]methanone
SMILESCOc1ccc2cc(CCN3CCN(C(=O)c4ccc(Cc5ccc6c(c5)c(C)c(C)n6CCCN5CCN(C)CC5)cc4)CC3)ccc2c1.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3ccc(C(=O)N4CCN(CCc5ccc6ccccc6c5)CC4)cc3)cc12.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3ccc(C(=O)N4CCN(CCc5cccc6ccccc56)CC4)cc3)cc12
InChIInChI=1S/C43H53N5O2.2C42H51N5O/c1-32-33(2)48(18-5-17-45-22-20-44(3)21-23-45)42-15-9-36(30-41(32)42)28-34-6-10-37(11-7-34)43(49)47-26-24-46(25-27-47)19-16-35-8-12-39-31-40(50-4)14-13-38(39)29-35;1-32-33(2)47(20-7-19-44-24-22-43(3)23-25-44)41-17-14-35(31-40(32)41)30-34-12-15-38(16-13-34)42(48)46-28-26-45(27-29-46)21-18-37-10-6-9-36-8-4-5-11-39(36)37;1-32-33(2)47(19-6-18-44-23-21-43(3)22-24-44)41-16-12-36(31-40(32)41)29-34-10-14-38(15-11-34)42(48)46-27-25-45(26-28-46)20-17-35-9-13-37-7-4-5-8-39(37)30-35/h6-15,29-31H,5,16-28H2,1-4H3;4-6,8-17,31H,7,18-30H2,1-3H3;4-5,7-16,30-31H,6,17-29H2,1-3H3
InChIKeyBHKHILHOKNIQIA-UHFFFAOYSA-N
MW1955.74 g/mol
LogP19.93
Rot. Bonds31

About [4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-1-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-2-ylethyl)piperazin-1-yl]methanone

[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-1-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-2-ylethyl)piperazin-1-yl]methanone (PubChem CID 157349924) has the molecular formula C127H155N15O4 and a molecular weight of 1955.74 g/mol. Its IUPAC name is [4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-1-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-2-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-1-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-2-ylethyl)piperazin-1-yl]methanone
PubChem CID157349924
Molecular FormulaC127H155N15O4
Molecular Weight1955.74 g/mol
Exact Mass1954.24
IUPAC Name[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-1-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-2-ylethyl)piperazin-1-yl]methanone
SMILESCOc1ccc2cc(CCN3CCN(C(=O)c4ccc(Cc5ccc6c(c5)c(C)c(C)n6CCCN5CCN(C)CC5)cc4)CC3)ccc2c1.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3ccc(C(=O)N4CCN(CCc5ccc6ccccc6c5)CC4)cc3)cc12.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3ccc(C(=O)N4CCN(CCc5cccc6ccccc56)CC4)cc3)cc12
InChIInChI=1S/C43H53N5O2.2C42H51N5O/c1-32-33(2)48(18-5-17-45-22-20-44(3)21-23-45)42-15-9-36(30-41(32)42)28-34-6-10-37(11-7-34)43(49)47-26-24-46(25-27-47)19-16-35-8-12-39-31-40(50-4)14-13-38(39)29-35;1-32-33(2)47(20-7-19-44-24-22-43(3)23-25-44)41-17-14-35(31-40(32)41)30-34-12-15-38(16-13-34)42(48)46-28-26-45(27-29-46)21-18-37-10-6-9-36-8-4-5-11-39(36)37;1-32-33(2)47(19-6-18-44-23-21-43(3)22-24-44)41-16-12-36(31-40(32)41)29-34-10-14-38(15-11-34)42(48)46-27-25-45(26-28-46)20-17-35-9-13-37-7-4-5-8-39(37)30-35/h6-15,29-31H,5,16-28H2,1-4H3;4-6,8-17,31H,7,18-30H2,1-3H3;4-5,7-16,30-31H,6,17-29H2,1-3H3
InChIKeyBHKHILHOKNIQIA-UHFFFAOYSA-N
XLogP19.93
TPSA114.11 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds31
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001955.74
LogP ≤ 519.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze [4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-1-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-2-ylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4,4-Dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(4-methylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
CID 157863555
(4-Fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 161140105
(2-Benzylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenylphenyl)methanone;molecular hydrogen
CID 161153609
[1-(4-Methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 165019113
2-[4-[6-Carbazol-9-yl-4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]octan-2-yl]phenyl]-6-methoxybenzo[de]isoquinoline-1,3-dione
CID 23397833
6-Methoxy-2-[3-[3-(6-methoxy-9,10-dimethyl-1,3-dioxopyrrolo[3,4-b]carbazol-2-yl)propyl-methylamino]propyl]-9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione
CID 54288853
13-cyclohexyl-3-methoxy-6-[(1S,4S)-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-N-sulfamoyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 57720541
13-cyclohexyl-N-(dimethylsulfamoyl)-6-(5-ethyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 57720547
13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 57720562
13-cyclohexyl-3-methoxy-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-N-sulfamoyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 57720581
13-cyclohexyl-6-(5-ethyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-3-methoxy-N-sulfamoyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 57720600
20-Methoxy-3-(3-phenylmethoxypropyl)-7-pyridin-2-yl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaen-14-one
CID 58787546

Frequently Asked Questions

What is the IUPAC name of [4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-1-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-2-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-1-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-2-ylethyl)piperazin-1-yl]methanone (CID 157349924) is [4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-1-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-2-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-1-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-2-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-1-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-2-ylethyl)piperazin-1-yl]methanone is COc1ccc2cc(CCN3CCN(C(=O)c4ccc(Cc5ccc6c(c5)c(C)c(C)n6CCCN5CCN(C)CC5)cc4)CC3)ccc2c1.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3ccc(C(=O)N4CCN(CCc5ccc6ccccc6c5)CC4)cc3)cc12.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3ccc(C(=O)N4CCN(CCc5cccc6ccccc56)CC4)cc3)cc12.
What is the InChIKey of [4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-1-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-2-ylethyl)piperazin-1-yl]methanone?
The InChIKey is BHKHILHOKNIQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H53N5O2.2C42H51N5O/c1-32-33(2)48(18-5-17-45-22-20-44(3)21-23-45)42-15-9-36(30-41(32)42)28-34-6-10-37(11-7-34)43(49)47-26-24-46(25-27-47)19-16-35-8-12-39-31-40(50-4)14-13-38(39)29-35;1-32-33(2)47(20-7-19-44-24-22-43(3)23-25-44)41-17-14-35(31-40(32)41)30-34-12-15-38(16-13-34)42(48)46-28-26-45(27-29-46)21-18-37-10-6-9-36-8-4-5-11-39(36)37;1-32-33(2)47(19-6-18-44-23-21-43(3)22-24-44)41-16-12-36(31-40(32)41)29-34-10-14-38(15-11-34)42(48)46-27-25-45(26-28-46)20-17-35-9-13-37-7-4-5-8-39(37)30-35/h6-15,29-31H,5,16-28H2,1-4H3;4-6,8-17,31H,7,18-30H2,1-3H3;4-5,7-16,30-31H,6,17-29H2,1-3H3.
What are the key properties of [4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-1-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-2-ylethyl)piperazin-1-yl]methanone?
[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-1-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-2-ylethyl)piperazin-1-yl]methanone has a molecular weight of 1955.74 g/mol, XLogP of 19.93, 31 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-[2-(6-methoxynaphthalen-2-yl)ethyl]piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-1-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-naphthalen-2-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 157349924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).