(3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide

C23H30N4O3 — CID 92741898

IUPAC(3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCCN1C(=O)c2c(NC(C)=O)c3ccccc3n2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C23H30N4O3/c1-4-13-27-21(29)20-19(24-15(2)28)17-11-7-8-12-18(17)26(20)14-23(27,3)22(30)25-16-9-5-6-10-16/h7-8,11-12,16H,4-6,9-10,13-14H2,1-3H3,(H,24,28)(H,25,30)/t23-/m0/s1
InChIKeyQHUOWUKWBRFOKD-QHCPKHFHSA-N
MW410.52 g/mol
LogP3.28
Rot. Bonds5

About (3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide

(3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92741898) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is (3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92741898
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name(3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCCN1C(=O)c2c(NC(C)=O)c3ccccc3n2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C23H30N4O3/c1-4-13-27-21(29)20-19(24-15(2)28)17-11-7-8-12-18(17)26(20)14-23(27,3)22(30)25-16-9-5-6-10-16/h7-8,11-12,16H,4-6,9-10,13-14H2,1-3H3,(H,24,28)(H,25,30)/t23-/m0/s1
InChIKeyQHUOWUKWBRFOKD-QHCPKHFHSA-N
XLogP3.28
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-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

(3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741665
10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46274552
(3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741915
10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46274547
(3R)-10-acetamido-N-cyclohexyl-3-methyl-2-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741883
(3R)-10-acetamido-N-cyclohexyl-8-fluoro-2-(2-methoxyethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741829
(3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741668
(3S)-10-acetamido-N-cyclopentyl-8-fluoro-2-[(4-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741785
(3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741674
(3S)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741767
(3R)-10-acetamido-2-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-8-fluoro-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92886553
(3S)-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740755

Frequently Asked Questions

What is the IUPAC name of (3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92741898) is (3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide is CCCN1C(=O)c2c(NC(C)=O)c3ccccc3n2C[C@@]1(C)C(=O)NC1CCCC1.
What is the InChIKey of (3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is QHUOWUKWBRFOKD-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-4-13-27-21(29)20-19(24-15(2)28)17-11-7-8-12-18(17)26(20)14-23(27,3)22(30)25-16-9-5-6-10-16/h7-8,11-12,16H,4-6,9-10,13-14H2,1-3H3,(H,24,28)(H,25,30)/t23-/m0/s1.
What are the key properties of (3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92741898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).