4-[[3-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride

C77H74Br3ClF17N19O9 — CID 159154264

About 4-[[3-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride

4-[[3-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride (PubChem CID 159154264) has the molecular formula C77H74Br3ClF17N19O9 and a molecular weight of 2007.69 g/mol. Its IUPAC name is 4-[[3-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride.

Molecular Properties

• Compound Name: 4-[[3-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride
• PubChem CID: 159154264
• Molecular Formula: C77H74Br3ClF17N19O9
• Molecular Weight: 2007.69 g/mol
• Exact Mass: 2003.29
• IUPAC Name: 4-[[3-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(Br)c2C1.CC(C)(C)OC(=O)N1CCn2c(cnc2C(F)(F)F)C1.Cl.FC(F)(F)c1nc(Br)c2n1CCNC2.FC(F)(F)c1ncc2n1CCNC2.O=C(O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(C(F)(F)F)nc(Br)c2C1
• InChI: InChI=1S/C23H16BrF4N5O2.C16H11FN2O3.C12H15BrF3N3O2.C12H16F3N3O2.C7H7BrF3N3.C7H8F3N3.ClH/c24-19-18-11-32(7-8-33(18)22(29-19)23(26,27)28)21(35)15-9-12(5-6-16(15)25)10-17-13-3-1-2-4-14(13)20(34)31-30-17;17-13-6-5-9(7-12(13)16(21)22)8-14-10-3-1-2-4-11(10)15(20)19-18-14;1-11(2,3)21-10(20)18-4-5-19-7(6-18)8(13)17-9(19)12(14,15)16;1-11(2,3)20-10(19)17-4-5-18-8(7-17)6-16-9(18)12(13,14)15;8-5-4-3-12-1-2-14(4)6(13-5)7(9,10)11;8-7(9,10)6-12-4-5-3-11-1-2-13(5)6;/h1-6,9H,7-8,10-11H2,(H,31,34);1-7H,8H2,(H,19,20)(H,21,22);4-6H2,1-3H3;6H,4-5,7H2,1-3H3;12H,1-3H2;4,11H,1-3H2;1H
• InChIKey: OBQPDEOZYBHZJK-UHFFFAOYSA-N
• XLogP: 15.90
• TPSA: 321.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 6
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2007.69
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride?

The IUPAC name of 4-[[3-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride (CID 159154264) is 4-[[3-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride.

What is the SMILES notation for 4-[[3-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride?

The canonical SMILES for 4-[[3-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride is CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(Br)c2C1.CC(C)(C)OC(=O)N1CCn2c(cnc2C(F)(F)F)C1.Cl.FC(F)(F)c1nc(Br)c2n1CCNC2.FC(F)(F)c1ncc2n1CCNC2.O=C(O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(C(F)(F)F)nc(Br)c2C1.

What is the InChIKey of 4-[[3-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride?

The InChIKey is OBQPDEOZYBHZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrF4N5O2.C16H11FN2O3.C12H15BrF3N3O2.C12H16F3N3O2.C7H7BrF3N3.C7H8F3N3.ClH/c24-19-18-11-32(7-8-33(18)22(29-19)23(26,27)28)21(35)15-9-12(5-6-16(15)25)10-17-13-3-1-2-4-14(13)20(34)31-30-17;17-13-6-5-9(7-12(13)16(21)22)8-14-10-3-1-2-4-11(10)15(20)19-18-14;1-11(2,3)21-10(20)18-4-5-19-7(6-18)8(13)17-9(19)12(14,15)16;1-11(2,3)20-10(19)17-4-5-18-8(7-17)6-16-9(18)12(13,14)15;8-5-4-3-12-1-2-14(4)6(13-5)7(9,10)11;8-7(9,10)6-12-4-5-3-11-1-2-13(5)6;/h1-6,9H,7-8,10-11H2,(H,31,34);1-7H,8H2,(H,19,20)(H,21,22);4-6H2,1-3H3;6H,4-5,7H2,1-3H3;12H,1-3H2;4,11H,1-3H2;1H.

What are the key properties of 4-[[3-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride?

4-[[3-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride has a molecular weight of 2007.69 g/mol, XLogP of 15.90, 6 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride is sourced from PubChem (CID 159154264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).