bis(4-[[4-fluoro-3-[1-(hydroxymethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;methyl 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanol

C81H69F15N18O12 — CID 159348251

About bis(4-[[4-fluoro-3-[1-(hydroxymethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;methyl 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanol

bis(4-[[4-fluoro-3-[1-(hydroxymethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;methyl 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanol (PubChem CID 159348251) has the molecular formula C81H69F15N18O12 and a molecular weight of 1771.53 g/mol. Its IUPAC name is bis(4-[[4-fluoro-3-[1-(hydroxymethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;methyl 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanol.

Molecular Properties

• Compound Name: bis(4-[[4-fluoro-3-[1-(hydroxymethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;methyl 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanol
• PubChem CID: 159348251
• Molecular Formula: C81H69F15N18O12
• Molecular Weight: 1771.53 g/mol
• Exact Mass: 1770.51
• IUPAC Name: bis(4-[[4-fluoro-3-[1-(hydroxymethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;methyl 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanol
• SMILES: COC(=O)c1nc(C(F)(F)F)n2c1CNCC2.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(CO)c2C1.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(C(F)(F)F)nc(CO)c2C1.OCc1nc(C(F)(F)F)n2c1CNCC2
• InChI: InChI=1S/2C24H19F4N5O3.C16H11FN2O3.C9H10F3N3O2.C8H10F3N3O/c2*25-17-6-5-13(10-18-14-3-1-2-4-15(14)21(35)31-30-18)9-16(17)22(36)32-7-8-33-20(11-32)19(12-34)29-23(33)24(26,27)28;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;1-17-7(16)6-5-4-13-2-3-15(5)8(14-6)9(10,11)12;9-8(10,11)7-13-5(4-15)6-3-12-1-2-14(6)7/h2*1-6,9,34H,7-8,10-12H2,(H,31,35);1-7H,8H2,(H,19,20)(H,21,22);13H,2-4H2,1H3;12,15H,1-4H2
• InChIKey: LGZPVTDEWQAGQG-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 397.50 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1771.53
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of bis(4-[[4-fluoro-3-[1-(hydroxymethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;methyl 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanol?

The IUPAC name of bis(4-[[4-fluoro-3-[1-(hydroxymethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;methyl 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanol (CID 159348251) is bis(4-[[4-fluoro-3-[1-(hydroxymethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;methyl 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanol.

What is the SMILES notation for bis(4-[[4-fluoro-3-[1-(hydroxymethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;methyl 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanol?

The canonical SMILES for bis(4-[[4-fluoro-3-[1-(hydroxymethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;methyl 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanol is COC(=O)c1nc(C(F)(F)F)n2c1CNCC2.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(CO)c2C1.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2c(C(F)(F)F)nc(CO)c2C1.OCc1nc(C(F)(F)F)n2c1CNCC2.

What is the InChIKey of bis(4-[[4-fluoro-3-[1-(hydroxymethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;methyl 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanol?

The InChIKey is LGZPVTDEWQAGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H19F4N5O3.C16H11FN2O3.C9H10F3N3O2.C8H10F3N3O/c2*25-17-6-5-13(10-18-14-3-1-2-4-15(14)21(35)31-30-18)9-16(17)22(36)32-7-8-33-20(11-32)19(12-34)29-23(33)24(26,27)28;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;1-17-7(16)6-5-4-13-2-3-15(5)8(14-6)9(10,11)12;9-8(10,11)7-13-5(4-15)6-3-12-1-2-14(6)7/h2*1-6,9,34H,7-8,10-12H2,(H,31,35);1-7H,8H2,(H,19,20)(H,21,22);13H,2-4H2,1H3;12,15H,1-4H2.

What are the key properties of bis(4-[[4-fluoro-3-[1-(hydroxymethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;methyl 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanol?

bis(4-[[4-fluoro-3-[1-(hydroxymethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;methyl 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanol has a molecular weight of 1771.53 g/mol, XLogP of 9.67, 13 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-[[4-fluoro-3-[1-(hydroxymethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;methyl 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanol is sourced from PubChem (CID 159348251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).