N-cyclohexyl-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C26H29N3O3 — CID 50756888

IUPACN-cyclohexyl-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccccc1N1C(=O)c2cc3ccccc3n2CC1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C26H29N3O3/c1-26(25(31)27-19-11-4-3-5-12-19)17-28-20-13-7-6-10-18(20)16-22(28)24(30)29(26)21-14-8-9-15-23(21)32-2/h6-10,13-16,19H,3-5,11-12,17H2,1-2H3,(H,27,31)
InChIKeyZDAGHSFYKAMKNF-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.52
Rot. Bonds4

About N-cyclohexyl-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

N-cyclohexyl-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 50756888) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID50756888
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-cyclohexyl-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccccc1N1C(=O)c2cc3ccccc3n2CC1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C26H29N3O3/c1-26(25(31)27-19-11-4-3-5-12-19)17-28-20-13-7-6-10-18(20)16-22(28)24(30)29(26)21-14-8-9-15-23(21)32-2/h6-10,13-16,19H,3-5,11-12,17H2,1-2H3,(H,27,31)
InChIKeyZDAGHSFYKAMKNF-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 50756888) is N-cyclohexyl-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccccc1N1C(=O)c2cc3ccccc3n2CC1(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is ZDAGHSFYKAMKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-26(25(31)27-19-11-4-3-5-12-19)17-28-20-13-7-6-10-18(20)16-22(28)24(30)29(26)21-14-8-9-15-23(21)32-2/h6-10,13-16,19H,3-5,11-12,17H2,1-2H3,(H,27,31).
What are the key properties of N-cyclohexyl-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
N-cyclohexyl-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 50756888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).