N-cyclopentyl-3-methyl-2-(2-morpholin-4-ylethyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C24H32N4O3 — CID 50756910

IUPACN-cyclopentyl-3-methyl-2-(2-morpholin-4-ylethyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C24H32N4O3/c1-24(23(30)25-19-7-3-4-8-19)17-27-20-9-5-2-6-18(20)16-21(27)22(29)28(24)11-10-26-12-14-31-15-13-26/h2,5-6,9,16,19H,3-4,7-8,10-15,17H2,1H3,(H,25,30)
InChIKeyVTMOIIIMYHGUSE-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.25
Rot. Bonds5

About N-cyclopentyl-3-methyl-2-(2-morpholin-4-ylethyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

N-cyclopentyl-3-methyl-2-(2-morpholin-4-ylethyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 50756910) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-2-(2-morpholin-4-ylethyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-2-(2-morpholin-4-ylethyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID50756910
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-cyclopentyl-3-methyl-2-(2-morpholin-4-ylethyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C24H32N4O3/c1-24(23(30)25-19-7-3-4-8-19)17-27-20-9-5-2-6-18(20)16-21(27)22(29)28(24)11-10-26-12-14-31-15-13-26/h2,5-6,9,16,19H,3-4,7-8,10-15,17H2,1H3,(H,25,30)
InChIKeyVTMOIIIMYHGUSE-UHFFFAOYSA-N
XLogP2.25
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-2-(2-morpholin-4-ylethyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of N-cyclopentyl-3-methyl-2-(2-morpholin-4-ylethyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 50756910) is N-cyclopentyl-3-methyl-2-(2-morpholin-4-ylethyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-2-(2-morpholin-4-ylethyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-3-methyl-2-(2-morpholin-4-ylethyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CC1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1CCN1CCOCC1.
What is the InChIKey of N-cyclopentyl-3-methyl-2-(2-morpholin-4-ylethyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is VTMOIIIMYHGUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-24(23(30)25-19-7-3-4-8-19)17-27-20-9-5-2-6-18(20)16-21(27)22(29)28(24)11-10-26-12-14-31-15-13-26/h2,5-6,9,16,19H,3-4,7-8,10-15,17H2,1H3,(H,25,30).
What are the key properties of N-cyclopentyl-3-methyl-2-(2-morpholin-4-ylethyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
N-cyclopentyl-3-methyl-2-(2-morpholin-4-ylethyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methyl-2-(2-morpholin-4-ylethyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 50756910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).