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

C25H28N4O3S — CID 46274552

IUPAC10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC(=O)Nc1c2n(c3ccccc13)CC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C2=O
InChIInChI=1S/C25H28N4O3S/c1-16(30)26-21-19-11-5-6-12-20(19)28-15-25(2,24(32)27-17-8-3-4-9-17)29(23(31)22(21)28)14-18-10-7-13-33-18/h5-7,10-13,17H,3-4,8-9,14-15H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyWDLCLXQAIUWTNF-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.13
Rot. Bonds5

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

10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 46274552) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is 10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID46274552
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC(=O)Nc1c2n(c3ccccc13)CC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C2=O
InChIInChI=1S/C25H28N4O3S/c1-16(30)26-21-19-11-5-6-12-20(19)28-15-25(2,24(32)27-17-8-3-4-9-17)29(23(31)22(21)28)14-18-10-7-13-33-18/h5-7,10-13,17H,3-4,8-9,14-15H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyWDLCLXQAIUWTNF-UHFFFAOYSA-N
XLogP4.13
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741898
N-cyclooctyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523387
N-cyclooctyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 22553647
N-cycloheptyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 46274155
(3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741915
(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
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-8-fluoro-2-(2-methoxyethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741829
(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-N-cyclohexyl-3-methyl-2-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741883
(3S)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-1-oxo-2-[[(2R)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741781
(3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741665

Frequently Asked Questions

What is the IUPAC name of 10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of 10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 46274552) is 10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for 10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for 10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide is CC(=O)Nc1c2n(c3ccccc13)CC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C2=O.
What is the InChIKey of 10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is WDLCLXQAIUWTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-16(30)26-21-19-11-5-6-12-20(19)28-15-25(2,24(32)27-17-8-3-4-9-17)29(23(31)22(21)28)14-18-10-7-13-33-18/h5-7,10-13,17H,3-4,8-9,14-15H2,1-2H3,(H,26,30)(H,27,32).
What are the key properties of 10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?
10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 46274552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).