2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide

C23H33N5O2 — CID 16672485

IUPAC2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CN1N=C(C(C)(C)C)Cn2c(cc3ccccc32)C1=O
InChIInChI=1S/C23H33N5O2/c1-6-26(7-2)13-12-24-21(29)16-28-22(30)19-14-17-10-8-9-11-18(17)27(19)15-20(25-28)23(3,4)5/h8-11,14H,6-7,12-13,15-16H2,1-5H3,(H,24,29)
InChIKeyWOMQQBSMZVVBAI-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.96
Rot. Bonds7

About 2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide

2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 16672485) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide
PubChem CID16672485
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CN1N=C(C(C)(C)C)Cn2c(cc3ccccc32)C1=O
InChIInChI=1S/C23H33N5O2/c1-6-26(7-2)13-12-24-21(29)16-28-22(30)19-14-17-10-8-9-11-18(17)27(19)15-20(25-28)23(3,4)5/h8-11,14H,6-7,12-13,15-16H2,1-5H3,(H,24,29)
InChIKeyWOMQQBSMZVVBAI-UHFFFAOYSA-N
XLogP2.96
TPSA69.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide 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-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-(2-methoxyethyl)acetamide
CID 126468525
propan-2-yl 2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetate
CID 46950244
1-[2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetyl]piperidine-4-carboxamide
CID 16670461
N-[2-(1H-imidazol-5-yl)ethyl]-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide
CID 46952588
2-[4-(4-methylphenyl)-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl]-N-propan-2-ylacetamide
CID 16671068
2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 92582789
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)acetamide
CID 126468478
2-(1-oxo-4-phenyl-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-(1-pyridin-2-ylethyl)acetamide
CID 126468473
N-[2-(diethylamino)ethyl]-3-indol-1-ylpropanamide
CID 84556794
N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356945
N-[3-(diethylamino)propyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295469
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide (CID 16672485) is 2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide is CCN(CC)CCNC(=O)CN1N=C(C(C)(C)C)Cn2c(cc3ccccc32)C1=O.
What is the InChIKey of 2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is WOMQQBSMZVVBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-6-26(7-2)13-12-24-21(29)16-28-22(30)19-14-17-10-8-9-11-18(17)27(19)15-20(25-28)23(3,4)5/h8-11,14H,6-7,12-13,15-16H2,1-5H3,(H,24,29).
What are the key properties of 2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide?
2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 411.55 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1-oxo-5H-[1,2,5]triazepino[5,4-a]indol-2-yl)-N-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 16672485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).