(6S)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-1-N-(2-morpholin-4-ylethyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C26H36N6O5 — CID 95072325

About (6S)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-1-N-(2-morpholin-4-ylethyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6S)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-1-N-(2-morpholin-4-ylethyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95072325) has the molecular formula C26H36N6O5 and a molecular weight of 512.61 g/mol. Its IUPAC name is (6S)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-1-N-(2-morpholin-4-ylethyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6S)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-1-N-(2-morpholin-4-ylethyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 95072325
• Molecular Formula: C26H36N6O5
• Molecular Weight: 512.61 g/mol
• Exact Mass: 512.27
• IUPAC Name: (6S)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-1-N-(2-morpholin-4-ylethyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: CCCN1C(=O)c2c(C(=O)NCCN3CCOCC3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1
• InChI: InChI=1S/C26H36N6O5/c1-4-10-32-24(34)22-21(23(33)27-9-11-30-12-14-37-15-13-30)29-18-31(22)17-26(32,2)25(35)28-16-19-5-7-20(36-3)8-6-19/h5-8,18H,4,9-17H2,1-3H3,(H,27,33)(H,28,35)/t26-/m0/s1
• InChIKey: ZKHOIMLRQDJIHQ-SANMLTNESA-N
• XLogP: 0.89
• TPSA: 118.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.61
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (6S)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-1-N-(2-morpholin-4-ylethyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of (6S)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-1-N-(2-morpholin-4-ylethyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95072325) is (6S)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-1-N-(2-morpholin-4-ylethyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for (6S)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-1-N-(2-morpholin-4-ylethyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for (6S)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-1-N-(2-morpholin-4-ylethyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCCN1C(=O)c2c(C(=O)NCCN3CCOCC3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1.

What is the InChIKey of (6S)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-1-N-(2-morpholin-4-ylethyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is ZKHOIMLRQDJIHQ-SANMLTNESA-N. The full InChI is InChI=1S/C26H36N6O5/c1-4-10-32-24(34)22-21(23(33)27-9-11-30-12-14-37-15-13-30)29-18-31(22)17-26(32,2)25(35)28-16-19-5-7-20(36-3)8-6-19/h5-8,18H,4,9-17H2,1-3H3,(H,27,33)(H,28,35)/t26-/m0/s1.

What are the key properties of (6S)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-1-N-(2-morpholin-4-ylethyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

(6S)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-1-N-(2-morpholin-4-ylethyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 512.61 g/mol, XLogP of 0.89, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-N-[(4-methoxyphenyl)methyl]-6-methyl-1-N-(2-morpholin-4-ylethyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95072325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).