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

C29H35N5O5 — CID 95072329

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

(6S)-1-N-[(2-ethoxyphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95072329) has the molecular formula C29H35N5O5 and a molecular weight of 533.63 g/mol. Its IUPAC name is (6S)-1-N-[(2-ethoxyphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6S)-1-N-[(2-ethoxyphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 95072329
• Molecular Formula: C29H35N5O5
• Molecular Weight: 533.63 g/mol
• Exact Mass: 533.26
• IUPAC Name: (6S)-1-N-[(2-ethoxyphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: CCCN1C(=O)c2c(C(=O)NCc3ccccc3OCC)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1
• InChI: InChI=1S/C29H35N5O5/c1-5-15-34-27(36)25-24(26(35)30-17-21-9-7-8-10-23(21)39-6-2)32-19-33(25)18-29(34,3)28(37)31-16-20-11-13-22(38-4)14-12-20/h7-14,19H,5-6,15-18H2,1-4H3,(H,30,35)(H,31,37)/t29-/m0/s1
• InChIKey: RZEQNBZCIPMIPN-LJAQVGFWSA-N
• XLogP: 3.16
• TPSA: 114.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.63
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (6S)-1-N-[(2-ethoxyphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95072329) is (6S)-1-N-[(2-ethoxyphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

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

The canonical SMILES for (6S)-1-N-[(2-ethoxyphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCCN1C(=O)c2c(C(=O)NCc3ccccc3OCC)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1.

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

The InChIKey is RZEQNBZCIPMIPN-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H35N5O5/c1-5-15-34-27(36)25-24(26(35)30-17-21-9-7-8-10-23(21)39-6-2)32-19-33(25)18-29(34,3)28(37)31-16-20-11-13-22(38-4)14-12-20/h7-14,19H,5-6,15-18H2,1-4H3,(H,30,35)(H,31,37)/t29-/m0/s1.

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

(6S)-1-N-[(2-ethoxyphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 533.63 g/mol, XLogP of 3.16, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-1-N-[(2-ethoxyphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95072329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).