(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C20H19F4N5O2 — CID 158611707

About (6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 158611707) has the molecular formula C20H19F4N5O2 and a molecular weight of 437.40 g/mol. Its IUPAC name is (6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
• PubChem CID: 158611707
• Molecular Formula: C20H19F4N5O2
• Molecular Weight: 437.40 g/mol
• Exact Mass: 437.15
• IUPAC Name: (6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
• SMILES: C[C@@H]1Cn2cnc(C(=O)C[C@@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(C#N)c1
• InChI: InChI=1S/C20H19F4N5O2/c1-11(20(22,23)24)5-17(30)18-16-9-29(12(2)8-28(16)10-26-18)19(31)27-14-3-4-15(21)13(6-14)7-25/h3-4,6,10-12H,5,8-9H2,1-2H3,(H,27,31)/t11-,12-/m1/s1
• InChIKey: HWXLCMZRLXAANQ-VXGBXAGGSA-N
• XLogP: 4.10
• TPSA: 91.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.40
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The IUPAC name of (6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 158611707) is (6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

What is the SMILES notation for (6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The canonical SMILES for (6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is C[C@@H]1Cn2cnc(C(=O)C[C@@H](C)C(F)(F)F)c2CN1C(=O)Nc1ccc(F)c(C#N)c1.

What is the InChIKey of (6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The InChIKey is HWXLCMZRLXAANQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C20H19F4N5O2/c1-11(20(22,23)24)5-17(30)18-16-9-29(12(2)8-28(16)10-26-18)19(31)27-14-3-4-15(21)13(6-14)7-25/h3-4,6,10-12H,5,8-9H2,1-2H3,(H,27,31)/t11-,12-/m1/s1.

What are the key properties of (6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

(6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 437.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-(3-cyano-4-fluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 158611707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).