(6S)-7-cyclopropyl-1-N-[(3-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C27H28FN5O4 — CID 95072944

About (6S)-7-cyclopropyl-1-N-[(3-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6S)-7-cyclopropyl-1-N-[(3-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95072944) has the molecular formula C27H28FN5O4 and a molecular weight of 505.55 g/mol. Its IUPAC name is (6S)-7-cyclopropyl-1-N-[(3-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6S)-7-cyclopropyl-1-N-[(3-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 95072944
• Molecular Formula: C27H28FN5O4
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.21
• IUPAC Name: (6S)-7-cyclopropyl-1-N-[(3-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: COc1ccccc1CNC(=O)[C@]1(C)Cn2cnc(C(=O)NCc3cccc(F)c3)c2C(=O)N1C1CC1
• InChI: InChI=1S/C27H28FN5O4/c1-27(26(36)30-14-18-7-3-4-9-21(18)37-2)15-32-16-31-22(23(32)25(35)33(27)20-10-11-20)24(34)29-13-17-6-5-8-19(28)12-17/h3-9,12,16,20H,10-11,13-15H2,1-2H3,(H,29,34)(H,30,36)/t27-/m0/s1
• InChIKey: MVOATVGIABNINH-MHZLTWQESA-N
• XLogP: 2.65
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.55
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6S)-7-cyclopropyl-1-N-[(3-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of (6S)-7-cyclopropyl-1-N-[(3-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95072944) is (6S)-7-cyclopropyl-1-N-[(3-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for (6S)-7-cyclopropyl-1-N-[(3-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for (6S)-7-cyclopropyl-1-N-[(3-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is COc1ccccc1CNC(=O)[C@]1(C)Cn2cnc(C(=O)NCc3cccc(F)c3)c2C(=O)N1C1CC1.

What is the InChIKey of (6S)-7-cyclopropyl-1-N-[(3-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is MVOATVGIABNINH-MHZLTWQESA-N. The full InChI is InChI=1S/C27H28FN5O4/c1-27(26(36)30-14-18-7-3-4-9-21(18)37-2)15-32-16-31-22(23(32)25(35)33(27)20-10-11-20)24(34)29-13-17-6-5-8-19(28)12-17/h3-9,12,16,20H,10-11,13-15H2,1-2H3,(H,29,34)(H,30,36)/t27-/m0/s1.

What are the key properties of (6S)-7-cyclopropyl-1-N-[(3-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

(6S)-7-cyclopropyl-1-N-[(3-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 505.55 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-7-cyclopropyl-1-N-[(3-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95072944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).