(3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C24H34N4O3 — CID 92739571

IUPAC(3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(CCN(C)C)C3=O
InChIInChI=1S/C24H34N4O3/c1-24(23(30)25-18-8-6-5-7-9-18)16-27-20-15-19(31-4)11-10-17(20)14-21(27)22(29)28(24)13-12-26(2)3/h10-11,14-15,18H,5-9,12-13,16H2,1-4H3,(H,25,30)/t24-/m0/s1
InChIKeyUTWCCKSBFAMHJF-DEOSSOPVSA-N
MW426.56 g/mol
LogP2.87
Rot. Bonds6

About (3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

(3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92739571) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92739571
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name(3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(CCN(C)C)C3=O
InChIInChI=1S/C24H34N4O3/c1-24(23(30)25-18-8-6-5-7-9-18)16-27-20-15-19(31-4)11-10-17(20)14-21(27)22(29)28(24)13-12-26(2)3/h10-11,14-15,18H,5-9,12-13,16H2,1-4H3,(H,25,30)/t24-/m0/s1
InChIKeyUTWCCKSBFAMHJF-DEOSSOPVSA-N
XLogP2.87
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-2-butyl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739552
2-[3-[bis(2-methylpropyl)amino]propyl]-N-cycloheptyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 143131046
(3R)-N-cycloheptyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704268
N-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756953
(3R)-N-cyclohexyl-2-(3-ethoxypropyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739549
(3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704158
N-cyclohexyl-7-methoxy-3-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523228
N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273001
(3S)-N-cyclohexyl-7-methoxy-2-(4-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739510
(3R)-2-benzyl-N-cycloheptyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704259
(3R)-2-[(4-chlorophenyl)methyl]-N-cycloheptyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704263
(3S)-N-cyclooctyl-2-[(4-fluorophenyl)methyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704433

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92739571) is (3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(CCN(C)C)C3=O.
What is the InChIKey of (3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is UTWCCKSBFAMHJF-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-24(23(30)25-18-8-6-5-7-9-18)16-27-20-15-19(31-4)11-10-17(20)14-21(27)22(29)28(24)13-12-26(2)3/h10-11,14-15,18H,5-9,12-13,16H2,1-4H3,(H,25,30)/t24-/m0/s1.
What are the key properties of (3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92739571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).