N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide

C23H29N7O3 — CID 73339912

IUPACN-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
SMILESCCCC1CC(=O)NC(n2nc(C)cc2NC(=O)C(=O)NCCc2c[nH]c3ccccc23)N1
InChIInChI=1S/C23H29N7O3/c1-3-6-16-12-20(31)28-23(26-16)30-19(11-14(2)29-30)27-22(33)21(32)24-10-9-15-13-25-18-8-5-4-7-17(15)18/h4-5,7-8,11,13,16,23,25-26H,3,6,9-10,12H2,1-2H3,(H,24,32)(H,27,33)(H,28,31)
InChIKeyUQVHCHAOXXSIHC-UHFFFAOYSA-N
MW451.53 g/mol
LogP1.70
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide

N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide (PubChem CID 73339912) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
PubChem CID73339912
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
SMILESCCCC1CC(=O)NC(n2nc(C)cc2NC(=O)C(=O)NCCc2c[nH]c3ccccc23)N1
InChIInChI=1S/C23H29N7O3/c1-3-6-16-12-20(31)28-23(26-16)30-19(11-14(2)29-30)27-22(33)21(32)24-10-9-15-13-25-18-8-5-4-7-17(15)18/h4-5,7-8,11,13,16,23,25-26H,3,6,9-10,12H2,1-2H3,(H,24,32)(H,27,33)(H,28,31)
InChIKeyUQVHCHAOXXSIHC-UHFFFAOYSA-N
XLogP1.70
TPSA132.94 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide 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

2-(2-methyl-1H-indol-3-yl)-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]-2-oxoacetamide
CID 78714822
N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]oxamide
CID 73339871
N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 73339872
N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]adamantane-1-carboxamide
CID 78714584
N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339846
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-(1H-indol-3-yl)acetamide
CID 39854243
N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511537
N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide
CID 172652755
1-(3,4-dichlorophenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924627
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
N-[2-(1H-indol-3-yl)ethyl]-2-[(3S)-3-methylpiperidin-1-yl]-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 93052897

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide (CID 73339912) is N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide is CCCC1CC(=O)NC(n2nc(C)cc2NC(=O)C(=O)NCCc2c[nH]c3ccccc23)N1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide?
The InChIKey is UQVHCHAOXXSIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-3-6-16-12-20(31)28-23(26-16)30-19(11-14(2)29-30)27-22(33)21(32)24-10-9-15-13-25-18-8-5-4-7-17(15)18/h4-5,7-8,11,13,16,23,25-26H,3,6,9-10,12H2,1-2H3,(H,24,32)(H,27,33)(H,28,31).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide?
N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide has a molecular weight of 451.53 g/mol, XLogP of 1.70, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide is sourced from PubChem (CID 73339912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).