(3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C24H25ClN4O3 — CID 92735159

IUPAC(3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN4O3/c1-24(15-29-19-6-4-3-5-17(19)13-20(29)22(31)28(24)2)23(32)27-14-21(30)26-12-11-16-7-9-18(25)10-8-16/h3-10,13H,11-12,14-15H2,1-2H3,(H,26,30)(H,27,32)/t24-/m0/s1
InChIKeyLNUCJRUNJSTGHV-DEOSSOPVSA-N
MW452.94 g/mol
LogP2.61
Rot. Bonds6

About (3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

(3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92735159) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is (3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92735159
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC Name(3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN4O3/c1-24(15-29-19-6-4-3-5-17(19)13-20(29)22(31)28(24)2)23(32)27-14-21(30)26-12-11-16-7-9-18(25)10-8-16/h3-10,13H,11-12,14-15H2,1-2H3,(H,26,30)(H,27,32)/t24-/m0/s1
InChIKeyLNUCJRUNJSTGHV-DEOSSOPVSA-N
XLogP2.61
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[2-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46261274
N-[2-(benzylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46261279
N-[2-(3-methoxypropylamino)-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46340940
(3R)-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92735129
(3R)-N-benzyl-2-[(3-chlorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740250
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739445
2-ethyl-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46340953
(3R)-N-benzyl-2-[(2-chlorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740254
(3S)-N-benzyl-2-[2-(4-ethoxyphenyl)ethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739961
(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740135
(3S)-2-butyl-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740065
6-N-benzyl-2-N-[(4-chlorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758684

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92735159) is (3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of (3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is LNUCJRUNJSTGHV-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c1-24(15-29-19-6-4-3-5-17(19)13-20(29)22(31)28(24)2)23(32)27-14-21(30)26-12-11-16-7-9-18(25)10-8-16/h3-10,13H,11-12,14-15H2,1-2H3,(H,26,30)(H,27,32)/t24-/m0/s1.
What are the key properties of (3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 452.94 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2,3-dimethyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92735159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).