(6S)-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C26H25ClFN5O3 — CID 95073042

About (6S)-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6S)-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95073042) has the molecular formula C26H25ClFN5O3 and a molecular weight of 509.97 g/mol. Its IUPAC name is (6S)-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6S)-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 95073042
• Molecular Formula: C26H25ClFN5O3
• Molecular Weight: 509.97 g/mol
• Exact Mass: 509.16
• IUPAC Name: (6S)-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: C[C@@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCc3ccc(F)cc3)c2C(=O)N1C1CC1
• InChI: InChI=1S/C26H25ClFN5O3/c1-26(25(36)30-13-17-4-2-3-5-20(17)27)14-32-15-31-21(22(32)24(35)33(26)19-10-11-19)23(34)29-12-16-6-8-18(28)9-7-16/h2-9,15,19H,10-14H2,1H3,(H,29,34)(H,30,36)/t26-/m0/s1
• InChIKey: BPQNAOQHWRYTMH-SANMLTNESA-N
• XLogP: 3.30
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.97
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6S)-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95073042) is (6S)-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

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

The canonical SMILES for (6S)-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is C[C@@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCc3ccc(F)cc3)c2C(=O)N1C1CC1.

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

The InChIKey is BPQNAOQHWRYTMH-SANMLTNESA-N. The full InChI is InChI=1S/C26H25ClFN5O3/c1-26(25(36)30-13-17-4-2-3-5-20(17)27)14-32-15-31-21(22(32)24(35)33(26)19-10-11-19)23(34)29-12-16-6-8-18(28)9-7-16/h2-9,15,19H,10-14H2,1H3,(H,29,34)(H,30,36)/t26-/m0/s1.

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

(6S)-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 509.97 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95073042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).