N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-[3-[[2-[[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-(2-oxobut-3-enyl)indol-6-yl]-2-pyridinyl]piperazin-1-yl]-λ3-iodanylidene]acetyl]amino]propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide

C66H76IN13O6 — CID 149108290

IUPACN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-[3-[[2-[[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-(2-oxobut-3-enyl)indol-6-yl]-2-pyridinyl]piperazin-1-yl]-λ3-iodanylidene]acetyl]amino]propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide
SMILESC=CC(=O)Cn1ccc2c(C(=O)NCc3c(CCC)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(/I=C/C(=O)NCCCn5ccc6c(C(=O)NCc7c(CCC)cc(C)[nH]c7=O)cc(-c7ccc(N8CCN(C)CC8)nc7)cc65)CC4)nc3)cc21
InChIInChI=1S/C66H76IN13O6/c1-7-11-45-31-43(4)73-65(85)56(45)40-71-63(83)54-33-49(47-13-15-60(69-38-47)77-25-23-75(6)24-26-77)35-58-52(54)17-21-76(58)20-10-19-68-62(82)37-67-80-29-27-78(28-30-80)61-16-14-48(39-70-61)50-34-55(53-18-22-79(59(53)36-50)42-51(81)9-3)64(84)72-41-57-46(12-8-2)32-44(5)74-66(57)86/h9,13-18,21-22,31-39H,3,7-8,10-12,19-20,23-30,40-42H2,1-2,4-6H3,(H,68,82)(H,71,83)(H,72,84)(H,73,85)(H,74,86)
InChIKeyQWGWMAMGLKMLJK-UHFFFAOYSA-N
MW1274.32 g/mol
LogP8.00
Rot. Bonds23

About N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-[3-[[2-[[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-(2-oxobut-3-enyl)indol-6-yl]-2-pyridinyl]piperazin-1-yl]-λ3-iodanylidene]acetyl]amino]propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-[3-[[2-[[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-(2-oxobut-3-enyl)indol-6-yl]-2-pyridinyl]piperazin-1-yl]-λ3-iodanylidene]acetyl]amino]propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide (PubChem CID 149108290) has the molecular formula C66H76IN13O6 and a molecular weight of 1274.32 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-[3-[[2-[[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-(2-oxobut-3-enyl)indol-6-yl]-2-pyridinyl]piperazin-1-yl]-λ3-iodanylidene]acetyl]amino]propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-[3-[[2-[[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-(2-oxobut-3-enyl)indol-6-yl]-2-pyridinyl]piperazin-1-yl]-λ3-iodanylidene]acetyl]amino]propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide
PubChem CID149108290
Molecular FormulaC66H76IN13O6
Molecular Weight1274.32 g/mol
Exact Mass1273.51
IUPAC NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-[3-[[2-[[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-(2-oxobut-3-enyl)indol-6-yl]-2-pyridinyl]piperazin-1-yl]-λ3-iodanylidene]acetyl]amino]propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide
SMILESC=CC(=O)Cn1ccc2c(C(=O)NCc3c(CCC)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(/I=C/C(=O)NCCCn5ccc6c(C(=O)NCc7c(CCC)cc(C)[nH]c7=O)cc(-c7ccc(N8CCN(C)CC8)nc7)cc65)CC4)nc3)cc21
InChIInChI=1S/C66H76IN13O6/c1-7-11-45-31-43(4)73-65(85)56(45)40-71-63(83)54-33-49(47-13-15-60(69-38-47)77-25-23-75(6)24-26-77)35-58-52(54)17-21-76(58)20-10-19-68-62(82)37-67-80-29-27-78(28-30-80)61-16-14-48(39-70-61)50-34-55(53-18-22-79(59(53)36-50)42-51(81)9-3)64(84)72-41-57-46(12-8-2)32-44(5)74-66(57)86/h9,13-18,21-22,31-39H,3,7-8,10-12,19-20,23-30,40-42H2,1-2,4-6H3,(H,68,82)(H,71,83)(H,72,84)(H,73,85)(H,74,86)
InChIKeyQWGWMAMGLKMLJK-UHFFFAOYSA-N
XLogP8.00
TPSA218.69 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001274.32
LogP ≤ 58.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-[3-[[2-[[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-(2-oxobut-3-enyl)indol-6-yl]-2-pyridinyl]piperazin-1-yl]-λ3-iodanylidene]acetyl]amino]propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-methylidenehydrazinyl)-2-oxoethyl]-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide
CID 121322819
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide
CID 121440181
N-[(4-butyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
CID 155556614
1-cycloheptyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
CID 155547766
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide;prop-2-enamide
CID 175099215
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-methyl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide
CID 67468458
2-ethenyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-3-[methyl(propan-2-yl)amino]benzamide
CID 144652631
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 155548857
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 158656343
6-methyl-3-[3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-(oxan-4-yl)indol-4-yl]-3-oxopropyl]-4-propyl-1H-pyridin-2-one
CID 159733484
3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide
CID 71269175
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-fluoro-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide
CID 54671394

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-[3-[[2-[[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-(2-oxobut-3-enyl)indol-6-yl]-2-pyridinyl]piperazin-1-yl]-λ3-iodanylidene]acetyl]amino]propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide?
The IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-[3-[[2-[[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-(2-oxobut-3-enyl)indol-6-yl]-2-pyridinyl]piperazin-1-yl]-λ3-iodanylidene]acetyl]amino]propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide (CID 149108290) is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-[3-[[2-[[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-(2-oxobut-3-enyl)indol-6-yl]-2-pyridinyl]piperazin-1-yl]-λ3-iodanylidene]acetyl]amino]propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide.
What is the SMILES notation for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-[3-[[2-[[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-(2-oxobut-3-enyl)indol-6-yl]-2-pyridinyl]piperazin-1-yl]-λ3-iodanylidene]acetyl]amino]propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide?
The canonical SMILES for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-[3-[[2-[[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-(2-oxobut-3-enyl)indol-6-yl]-2-pyridinyl]piperazin-1-yl]-λ3-iodanylidene]acetyl]amino]propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide is C=CC(=O)Cn1ccc2c(C(=O)NCc3c(CCC)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(/I=C/C(=O)NCCCn5ccc6c(C(=O)NCc7c(CCC)cc(C)[nH]c7=O)cc(-c7ccc(N8CCN(C)CC8)nc7)cc65)CC4)nc3)cc21.
What is the InChIKey of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-[3-[[2-[[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-(2-oxobut-3-enyl)indol-6-yl]-2-pyridinyl]piperazin-1-yl]-λ3-iodanylidene]acetyl]amino]propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide?
The InChIKey is QWGWMAMGLKMLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H76IN13O6/c1-7-11-45-31-43(4)73-65(85)56(45)40-71-63(83)54-33-49(47-13-15-60(69-38-47)77-25-23-75(6)24-26-77)35-58-52(54)17-21-76(58)20-10-19-68-62(82)37-67-80-29-27-78(28-30-80)61-16-14-48(39-70-61)50-34-55(53-18-22-79(59(53)36-50)42-51(81)9-3)64(84)72-41-57-46(12-8-2)32-44(5)74-66(57)86/h9,13-18,21-22,31-39H,3,7-8,10-12,19-20,23-30,40-42H2,1-2,4-6H3,(H,68,82)(H,71,83)(H,72,84)(H,73,85)(H,74,86).
What are the key properties of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-[3-[[2-[[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-(2-oxobut-3-enyl)indol-6-yl]-2-pyridinyl]piperazin-1-yl]-λ3-iodanylidene]acetyl]amino]propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide?
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-[3-[[2-[[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-(2-oxobut-3-enyl)indol-6-yl]-2-pyridinyl]piperazin-1-yl]-λ3-iodanylidene]acetyl]amino]propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide has a molecular weight of 1274.32 g/mol, XLogP of 8.00, 23 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-[3-[[2-[[4-[5-[4-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methylcarbamoyl]-1-(2-oxobut-3-enyl)indol-6-yl]-2-pyridinyl]piperazin-1-yl]-λ3-iodanylidene]acetyl]amino]propyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide is sourced from PubChem (CID 149108290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).