(6S)-6-methyl-6-N-[(4-methylphenyl)methyl]-1-N-(3-morpholin-4-ylpropyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

About (6S)-6-methyl-6-N-[(4-methylphenyl)methyl]-1-N-(3-morpholin-4-ylpropyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6S)-6-methyl-6-N-[(4-methylphenyl)methyl]-1-N-(3-morpholin-4-ylpropyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95072144) has the molecular formula C27H38N6O4 and a molecular weight of 510.64 g/mol. Its IUPAC name is (6S)-6-methyl-6-N-[(4-methylphenyl)methyl]-1-N-(3-morpholin-4-ylpropyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name	(6S)-6-methyl-6-N-[(4-methylphenyl)methyl]-1-N-(3-morpholin-4-ylpropyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID	95072144
Molecular Formula	C27H38N6O4
Molecular Weight	510.64 g/mol
Exact Mass	510.30
IUPAC Name	(6S)-6-methyl-6-N-[(4-methylphenyl)methyl]-1-N-(3-morpholin-4-ylpropyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILES	CCCN1C(=O)c2c(C(=O)NCCCN3CCOCC3)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1
InChI	InChI=1S/C27H38N6O4/c1-4-11-33-25(35)23-22(24(34)28-10-5-12-31-13-15-37-16-14-31)30-19-32(23)18-27(33,3)26(36)29-17-21-8-6-20(2)7-9-21/h6-9,19H,4-5,10-18H2,1-3H3,(H,28,34)(H,29,36)/t27-/m0/s1
InChIKey	AUOORRJRTCAEDC-MHZLTWQESA-N
XLogP	1.58
TPSA	108.80 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	10
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-6-N-[(4-methylphenyl)methyl]-1-N-(3-morpholin-4-ylpropyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of (6S)-6-methyl-6-N-[(4-methylphenyl)methyl]-1-N-(3-morpholin-4-ylpropyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95072144) is (6S)-6-methyl-6-N-[(4-methylphenyl)methyl]-1-N-(3-morpholin-4-ylpropyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for (6S)-6-methyl-6-N-[(4-methylphenyl)methyl]-1-N-(3-morpholin-4-ylpropyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for (6S)-6-methyl-6-N-[(4-methylphenyl)methyl]-1-N-(3-morpholin-4-ylpropyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCCN1C(=O)c2c(C(=O)NCCCN3CCOCC3)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1.

What is the InChIKey of (6S)-6-methyl-6-N-[(4-methylphenyl)methyl]-1-N-(3-morpholin-4-ylpropyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is AUOORRJRTCAEDC-MHZLTWQESA-N. The full InChI is InChI=1S/C27H38N6O4/c1-4-11-33-25(35)23-22(24(34)28-10-5-12-31-13-15-37-16-14-31)30-19-32(23)18-27(33,3)26(36)29-17-21-8-6-20(2)7-9-21/h6-9,19H,4-5,10-18H2,1-3H3,(H,28,34)(H,29,36)/t27-/m0/s1.

What are the key properties of (6S)-6-methyl-6-N-[(4-methylphenyl)methyl]-1-N-(3-morpholin-4-ylpropyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

(6S)-6-methyl-6-N-[(4-methylphenyl)methyl]-1-N-(3-morpholin-4-ylpropyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 510.64 g/mol, XLogP of 1.58, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-methyl-6-N-[(4-methylphenyl)methyl]-1-N-(3-morpholin-4-ylpropyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95072144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).