(3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C26H29N3O3 — CID 92739833

IUPAC(3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(c1ccc(C)cc1)C3=O
InChIInChI=1S/C26H29N3O3/c1-17-8-11-20(12-9-17)29-24(30)23-14-18-10-13-21(32-3)15-22(18)28(23)16-26(29,2)25(31)27-19-6-4-5-7-19/h8-15,19H,4-7,16H2,1-3H3,(H,27,31)/t26-/m1/s1
InChIKeyDKRDDIFPQOBUHP-AREMUKBSSA-N
MW431.54 g/mol
LogP4.44
Rot. Bonds4

About (3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

(3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92739833) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92739833
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name(3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(c1ccc(C)cc1)C3=O
InChIInChI=1S/C26H29N3O3/c1-17-8-11-20(12-9-17)29-24(30)23-14-18-10-13-21(32-3)15-22(18)28(23)16-26(29,2)25(31)27-19-6-4-5-7-19/h8-15,19H,4-7,16H2,1-3H3,(H,27,31)/t26-/m1/s1
InChIKeyDKRDDIFPQOBUHP-AREMUKBSSA-N
XLogP4.44
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide with MolForge

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Related Compounds

(3S)-N-cyclohexyl-7-methoxy-2-(4-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739510
(3R)-N-cyclopentyl-2-(4-fluorophenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92721807
(3R)-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704124
(3R)-N-cyclooctyl-7-methoxy-2-(3-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704403
N-cyclooctyl-2-(2,4-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523425
(3R)-2-(3-chlorophenyl)-N-cyclopentyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739779
N-cyclohexyl-2-(2,4-dimethoxyphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756837
N-cyclooctyl-2-(2,3-dimethylphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523417
N-cyclohexyl-7-methoxy-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756857
N-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756953
(3R)-N-cycloheptyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704268
(3R)-N-cyclooctyl-2-cyclopentyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704452

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92739833) is (3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCC1)N(c1ccc(C)cc1)C3=O.
What is the InChIKey of (3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is DKRDDIFPQOBUHP-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-17-8-11-20(12-9-17)29-24(30)23-14-18-10-13-21(32-3)15-22(18)28(23)16-26(29,2)25(31)27-19-6-4-5-7-19/h8-15,19H,4-7,16H2,1-3H3,(H,27,31)/t26-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92739833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).