methyl 7-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(2,4,5-trifluorophenyl)methyl]butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C24H25F6N3O5 — CID 174593400

About methyl 7-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(2,4,5-trifluorophenyl)methyl]butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl 7-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(2,4,5-trifluorophenyl)methyl]butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 174593400) has the molecular formula C24H25F6N3O5 and a molecular weight of 549.47 g/mol. Its IUPAC name is methyl 7-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(2,4,5-trifluorophenyl)methyl]butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

• Compound Name: methyl 7-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(2,4,5-trifluorophenyl)methyl]butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• PubChem CID: 174593400
• Molecular Formula: C24H25F6N3O5
• Molecular Weight: 549.47 g/mol
• Exact Mass: 549.17
• IUPAC Name: methyl 7-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(2,4,5-trifluorophenyl)methyl]butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
• SMILES: COC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)CC(Cc1cc(F)c(F)cc1F)C(=O)OC(C)(C)C)CC2
• InChI: InChI=1S/C24H25F6N3O5/c1-23(2,3)38-20(35)13(7-12-8-15(26)16(27)10-14(12)25)9-18(34)32-5-6-33-17(11-32)19(21(36)37-4)31-22(33)24(28,29)30/h8,10,13H,5-7,9,11H2,1-4H3
• InChIKey: XQKMBZJHHIMOIO-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 90.73 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.47
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 7-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(2,4,5-trifluorophenyl)methyl]butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The IUPAC name of methyl 7-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(2,4,5-trifluorophenyl)methyl]butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 174593400) is methyl 7-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(2,4,5-trifluorophenyl)methyl]butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

What is the SMILES notation for methyl 7-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(2,4,5-trifluorophenyl)methyl]butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The canonical SMILES for methyl 7-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(2,4,5-trifluorophenyl)methyl]butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)CC(Cc1cc(F)c(F)cc1F)C(=O)OC(C)(C)C)CC2.

What is the InChIKey of methyl 7-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(2,4,5-trifluorophenyl)methyl]butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

The InChIKey is XQKMBZJHHIMOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F6N3O5/c1-23(2,3)38-20(35)13(7-12-8-15(26)16(27)10-14(12)25)9-18(34)32-5-6-33-17(11-32)19(21(36)37-4)31-22(33)24(28,29)30/h8,10,13H,5-7,9,11H2,1-4H3.

What are the key properties of methyl 7-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(2,4,5-trifluorophenyl)methyl]butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate?

methyl 7-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(2,4,5-trifluorophenyl)methyl]butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 549.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 7-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(2,4,5-trifluorophenyl)methyl]butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 174593400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).