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

C25H22F3N5O3 — CID 95072635

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

(6R)-7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95072635) has the molecular formula C25H22F3N5O3 and a molecular weight of 497.48 g/mol. Its IUPAC name is (6R)-7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6R)-7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 95072635
• Molecular Formula: C25H22F3N5O3
• Molecular Weight: 497.48 g/mol
• Exact Mass: 497.17
• IUPAC Name: (6R)-7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)Nc3cc(F)ccc3F)c2C(=O)N1C1CC1
• InChI: InChI=1S/C25H22F3N5O3/c1-25(24(36)29-11-14-2-4-15(26)5-3-14)12-32-13-30-20(21(32)23(35)33(25)17-7-8-17)22(34)31-19-10-16(27)6-9-18(19)28/h2-6,9-10,13,17H,7-8,11-12H2,1H3,(H,29,36)(H,31,34)/t25-/m1/s1
• InChIKey: ADGGZYGTFDEFQL-RUZDIDTESA-N
• XLogP: 3.25
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.48
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6R)-7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95072635) is (6R)-7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

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

The canonical SMILES for (6R)-7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)Nc3cc(F)ccc3F)c2C(=O)N1C1CC1.

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

The InChIKey is ADGGZYGTFDEFQL-RUZDIDTESA-N. The full InChI is InChI=1S/C25H22F3N5O3/c1-25(24(36)29-11-14-2-4-15(26)5-3-14)12-32-13-30-20(21(32)23(35)33(25)17-7-8-17)22(34)31-19-10-16(27)6-9-18(19)28/h2-6,9-10,13,17H,7-8,11-12H2,1H3,(H,29,36)(H,31,34)/t25-/m1/s1.

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

(6R)-7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 497.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-7-cyclopropyl-1-N-(2,5-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95072635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).