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

C25H34N4O3 — CID 50756983

IUPACN-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C25H34N4O3/c1-25(24(31)26-20-8-3-4-9-20)18-28-21-10-5-2-7-19(21)17-22(28)23(30)29(25)12-6-11-27-13-15-32-16-14-27/h2,5,7,10,17,20H,3-4,6,8-9,11-16,18H2,1H3,(H,26,31)
InChIKeyNBUNJMVWSXPFNI-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.64
Rot. Bonds6

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

N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 50756983) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID50756983
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC NameN-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C25H34N4O3/c1-25(24(31)26-20-8-3-4-9-20)18-28-21-10-5-2-7-19(21)17-22(28)23(30)29(25)12-6-11-27-13-15-32-16-14-27/h2,5,7,10,17,20H,3-4,6,8-9,11-16,18H2,1H3,(H,26,31)
InChIKeyNBUNJMVWSXPFNI-UHFFFAOYSA-N
XLogP2.64
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.64
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-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 50756983) is N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CC1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1CCCN1CCOCC1.
What is the InChIKey of N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is NBUNJMVWSXPFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-25(24(31)26-20-8-3-4-9-20)18-28-21-10-5-2-7-19(21)17-22(28)23(30)29(25)12-6-11-27-13-15-32-16-14-27/h2,5,7,10,17,20H,3-4,6,8-9,11-16,18H2,1H3,(H,26,31).
What are the key properties of N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
N-cyclopentyl-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 2.64, 6 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-(3-morpholin-4-ylpropyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 50756983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).