7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;4-[[4-fluoro-3-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;morpholin-4-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone;hydrochloride

C84H97ClF16N20O18 — CID 160739632

About 7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;4-[[4-fluoro-3-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;morpholin-4-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone;hydrochloride

7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;4-[[4-fluoro-3-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;morpholin-4-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone;hydrochloride (PubChem CID 160739632) has the molecular formula C84H97ClF16N20O18 and a molecular weight of 2014.24 g/mol. Its IUPAC name is 7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;4-[[4-fluoro-3-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;morpholin-4-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone;hydrochloride.

Molecular Properties

• Compound Name: 7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;4-[[4-fluoro-3-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;morpholin-4-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone;hydrochloride
• PubChem CID: 160739632
• Molecular Formula: C84H97ClF16N20O18
• Molecular Weight: 2014.24 g/mol
• Exact Mass: 2012.67
• IUPAC Name: 7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;4-[[4-fluoro-3-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;morpholin-4-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCOCC3)c2C1.CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)O)c2C1.COC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2.Cl.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCOCC3)c2C1.O=C(c1nc(C(F)(F)F)n2c1CNCC2)N1CCOCC1
• InChI: InChI=1S/C28H24F4N6O4.C17H23F3N4O4.C14H18F3N3O4.C13H16F3N3O4.C12H15F3N4O2.ClH/c29-20-6-5-16(14-21-17-3-1-2-4-18(17)24(39)35-34-21)13-19(20)25(40)37-7-8-38-22(15-37)23(33-27(38)28(30,31)32)26(41)36-9-11-42-12-10-36;1-16(2,3)28-15(26)23-4-5-24-11(10-23)12(21-14(24)17(18,19)20)13(25)22-6-8-27-9-7-22;1-13(2,3)24-12(22)19-5-6-20-8(7-19)9(10(21)23-4)18-11(20)14(15,16)17;1-12(2,3)23-11(22)18-4-5-19-7(6-18)8(9(20)21)17-10(19)13(14,15)16;13-12(14,15)11-17-9(8-7-16-1-2-19(8)11)10(20)18-3-5-21-6-4-18;/h1-6,13H,7-12,14-15H2,(H,35,39);4-10H2,1-3H3;5-7H2,1-4H3;4-6H2,1-3H3,(H,20,21);16H,1-7H2;1H
• InChIKey: AYLKPEATTUURLB-UHFFFAOYSA-N
• XLogP: 10.81
• TPSA: 408.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 8
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2014.24
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;4-[[4-fluoro-3-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;morpholin-4-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone;hydrochloride?

The IUPAC name of 7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;4-[[4-fluoro-3-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;morpholin-4-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone;hydrochloride (CID 160739632) is 7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;4-[[4-fluoro-3-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;morpholin-4-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone;hydrochloride.

What is the SMILES notation for 7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;4-[[4-fluoro-3-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;morpholin-4-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone;hydrochloride?

The canonical SMILES for 7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;4-[[4-fluoro-3-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;morpholin-4-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone;hydrochloride is CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCOCC3)c2C1.CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)O)c2C1.COC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2.Cl.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCOCC3)c2C1.O=C(c1nc(C(F)(F)F)n2c1CNCC2)N1CCOCC1.

What is the InChIKey of 7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;4-[[4-fluoro-3-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;morpholin-4-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone;hydrochloride?

The InChIKey is AYLKPEATTUURLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F4N6O4.C17H23F3N4O4.C14H18F3N3O4.C13H16F3N3O4.C12H15F3N4O2.ClH/c29-20-6-5-16(14-21-17-3-1-2-4-18(17)24(39)35-34-21)13-19(20)25(40)37-7-8-38-22(15-37)23(33-27(38)28(30,31)32)26(41)36-9-11-42-12-10-36;1-16(2,3)28-15(26)23-4-5-24-11(10-23)12(21-14(24)17(18,19)20)13(25)22-6-8-27-9-7-22;1-13(2,3)24-12(22)19-5-6-20-8(7-19)9(10(21)23-4)18-11(20)14(15,16)17;1-12(2,3)23-11(22)18-4-5-19-7(6-18)8(9(20)21)17-10(19)13(14,15)16;13-12(14,15)11-17-9(8-7-16-1-2-19(8)11)10(20)18-3-5-21-6-4-18;/h1-6,13H,7-12,14-15H2,(H,35,39);4-10H2,1-3H3;5-7H2,1-4H3;4-6H2,1-3H3,(H,20,21);16H,1-7H2;1H.

What are the key properties of 7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;4-[[4-fluoro-3-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;morpholin-4-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone;hydrochloride?

7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;4-[[4-fluoro-3-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;morpholin-4-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone;hydrochloride has a molecular weight of 2014.24 g/mol, XLogP of 10.81, 8 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate;tert-butyl 1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;4-[[4-fluoro-3-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;morpholin-4-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 160739632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).