1-cyclohexyl-N-methyl-4-oxo-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide

C24H25N5O2 — CID 59198927

IUPAC1-cyclohexyl-N-methyl-4-oxo-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1ccc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2c1
InChIInChI=1S/C24H25N5O2/c1-28(15-18-9-5-6-12-25-18)24(31)17-10-11-19-20(13-17)29-21(23(30)27-19)14-26-22(29)16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8,15H2,1H3,(H,27,30)
InChIKeyVETJYJVNFNCQSV-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.89
Rot. Bonds4

About 1-cyclohexyl-N-methyl-4-oxo-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide

1-cyclohexyl-N-methyl-4-oxo-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide (PubChem CID 59198927) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-4-oxo-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-4-oxo-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
PubChem CID59198927
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name1-cyclohexyl-N-methyl-4-oxo-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1ccc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2c1
InChIInChI=1S/C24H25N5O2/c1-28(15-18-9-5-6-12-25-18)24(31)17-10-11-19-20(13-17)29-21(23(30)27-19)14-26-22(29)16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8,15H2,1H3,(H,27,30)
InChIKeyVETJYJVNFNCQSV-UHFFFAOYSA-N
XLogP3.89
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-4-oxo-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
The IUPAC name of 1-cyclohexyl-N-methyl-4-oxo-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide (CID 59198927) is 1-cyclohexyl-N-methyl-4-oxo-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-methyl-4-oxo-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-methyl-4-oxo-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide is CN(Cc1ccccn1)C(=O)c1ccc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2c1.
What is the InChIKey of 1-cyclohexyl-N-methyl-4-oxo-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
The InChIKey is VETJYJVNFNCQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-28(15-18-9-5-6-12-25-18)24(31)17-10-11-19-20(13-17)29-21(23(30)27-19)14-26-22(29)16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8,15H2,1H3,(H,27,30).
What are the key properties of 1-cyclohexyl-N-methyl-4-oxo-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
1-cyclohexyl-N-methyl-4-oxo-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-4-oxo-N-(pyridin-2-ylmethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 59198927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).