[(2R)-4-[1-(methylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamic acid

C20H19F6N5O4 — CID 142705992

About [(2R)-4-[1-(methylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamic acid

[(2R)-4-[1-(methylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamic acid (PubChem CID 142705992) has the molecular formula C20H19F6N5O4 and a molecular weight of 507.39 g/mol. Its IUPAC name is [(2R)-4-[1-(methylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2R)-4-[1-(methylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamic acid
• PubChem CID: 142705992
• Molecular Formula: C20H19F6N5O4
• Molecular Weight: 507.39 g/mol
• Exact Mass: 507.13
• IUPAC Name: [(2R)-4-[1-(methylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamic acid
• SMILES: CNC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)O)CC2
• InChI: InChI=1S/C20H19F6N5O4/c1-27-17(33)16-14-8-30(2-3-31(14)18(29-16)20(24,25)26)15(32)6-10(28-19(34)35)4-9-5-12(22)13(23)7-11(9)21/h5,7,10,28H,2-4,6,8H2,1H3,(H,27,33)(H,34,35)/t10-/m1/s1
• InChIKey: DCVDFOWBCXFWNN-SNVBAGLBSA-N
• XLogP: 2.29
• TPSA: 116.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.39
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[1-(methylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamic acid?

The IUPAC name of [(2R)-4-[1-(methylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamic acid (CID 142705992) is [(2R)-4-[1-(methylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamic acid.

What is the SMILES notation for [(2R)-4-[1-(methylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamic acid?

The canonical SMILES for [(2R)-4-[1-(methylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamic acid is CNC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)O)CC2.

What is the InChIKey of [(2R)-4-[1-(methylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamic acid?

The InChIKey is DCVDFOWBCXFWNN-SNVBAGLBSA-N. The full InChI is InChI=1S/C20H19F6N5O4/c1-27-17(33)16-14-8-30(2-3-31(14)18(29-16)20(24,25)26)15(32)6-10(28-19(34)35)4-9-5-12(22)13(23)7-11(9)21/h5,7,10,28H,2-4,6,8H2,1H3,(H,27,33)(H,34,35)/t10-/m1/s1.

What are the key properties of [(2R)-4-[1-(methylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamic acid?

[(2R)-4-[1-(methylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamic acid has a molecular weight of 507.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-4-[1-(methylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamic acid is sourced from PubChem (CID 142705992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).