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

C32H38F6N4O8 — CID 59548957

IUPAC1-cyclohexyloxycarbonyloxyethyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCC(OC(=O)OC1CCCCC1)OC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C32H38F6N4O8/c1-17(48-30(46)49-20-8-6-5-7-9-20)47-27(44)26-24-16-41(10-11-42(24)28(40-26)32(36,37)38)25(43)14-19(39-29(45)50-31(2,3)4)12-18-13-22(34)23(35)15-21(18)33/h13,15,17,19-20H,5-12,14,16H2,1-4H3,(H,39,45)/t17?,19-/m1/s1
InChIKeyACAYEDILUFWUKS-WHCXFUJUSA-N
MW720.66 g/mol
LogP6.18
Rot. Bonds9

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

1-cyclohexyloxycarbonyloxyethyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 59548957) has the molecular formula C32H38F6N4O8 and a molecular weight of 720.66 g/mol. Its IUPAC name is 1-cyclohexyloxycarbonyloxyethyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Name1-cyclohexyloxycarbonyloxyethyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID59548957
Molecular FormulaC32H38F6N4O8
Molecular Weight720.66 g/mol
Exact Mass720.26
IUPAC Name1-cyclohexyloxycarbonyloxyethyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCC(OC(=O)OC1CCCCC1)OC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)CC2
InChIInChI=1S/C32H38F6N4O8/c1-17(48-30(46)49-20-8-6-5-7-9-20)47-27(44)26-24-16-41(10-11-42(24)28(40-26)32(36,37)38)25(43)14-19(39-29(45)50-31(2,3)4)12-18-13-22(34)23(35)15-21(18)33/h13,15,17,19-20H,5-12,14,16H2,1-4H3,(H,39,45)/t17?,19-/m1/s1
InChIKeyACAYEDILUFWUKS-WHCXFUJUSA-N
XLogP6.18
TPSA138.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.66
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-cyclohexyloxycarbonyloxyethyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxycarbonyloxyethyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of 1-cyclohexyloxycarbonyloxyethyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 59548957) is 1-cyclohexyloxycarbonyloxyethyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for 1-cyclohexyloxycarbonyloxyethyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for 1-cyclohexyloxycarbonyloxyethyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate is CC(OC(=O)OC1CCCCC1)OC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)CC2.
What is the InChIKey of 1-cyclohexyloxycarbonyloxyethyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is ACAYEDILUFWUKS-WHCXFUJUSA-N. The full InChI is InChI=1S/C32H38F6N4O8/c1-17(48-30(46)49-20-8-6-5-7-9-20)47-27(44)26-24-16-41(10-11-42(24)28(40-26)32(36,37)38)25(43)14-19(39-29(45)50-31(2,3)4)12-18-13-22(34)23(35)15-21(18)33/h13,15,17,19-20H,5-12,14,16H2,1-4H3,(H,39,45)/t17?,19-/m1/s1.
What are the key properties of 1-cyclohexyloxycarbonyloxyethyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
1-cyclohexyloxycarbonyloxyethyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 720.66 g/mol, XLogP of 6.18, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxycarbonyloxyethyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 59548957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).