N-methyl-7-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;4-[[3-[1-propanoyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]propan-1-one

C77H67F9N16O10 — CID 160609365

About N-methyl-7-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;4-[[3-[1-propanoyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]propan-1-one

N-methyl-7-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;4-[[3-[1-propanoyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]propan-1-one (PubChem CID 160609365) has the molecular formula C77H67F9N16O10 and a molecular weight of 1547.47 g/mol. Its IUPAC name is N-methyl-7-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;4-[[3-[1-propanoyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: N-methyl-7-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;4-[[3-[1-propanoyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]propan-1-one
• PubChem CID: 160609365
• Molecular Formula: C77H67F9N16O10
• Molecular Weight: 1547.47 g/mol
• Exact Mass: 1546.51
• IUPAC Name: N-methyl-7-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;4-[[3-[1-propanoyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]propan-1-one
• SMILES: CCC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)c1cccc(Cc3n[nH]c(=O)c4ccccc34)c1)CC2.CCC(=O)c1nc(C(F)(F)F)n2c1CNCC2.CNC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)c1cccc(Cc3n[nH]c(=O)c4ccccc34)c1)CC2.O=C(O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
• InChI: InChI=1S/C26H22F3N5O3.C25H21F3N6O3.C16H12N2O3.C10H12F3N3O/c1-2-21(35)22-20-14-33(10-11-34(20)25(30-22)26(27,28)29)24(37)16-7-5-6-15(12-16)13-19-17-8-3-4-9-18(17)23(36)32-31-19;1-29-22(36)20-19-13-33(9-10-34(19)24(30-20)25(26,27)28)23(37)15-6-4-5-14(11-15)12-18-16-7-2-3-8-17(16)21(35)32-31-18;19-15-13-7-2-1-6-12(13)14(17-18-15)9-10-4-3-5-11(8-10)16(20)21;1-2-7(17)8-6-5-14-3-4-16(6)9(15-8)10(11,12)13/h3-9,12H,2,10-11,13-14H2,1H3,(H,32,36);2-8,11H,9-10,12-13H2,1H3,(H,29,36)(H,32,35);1-8H,9H2,(H,18,19)(H,20,21);14H,2-5H2,1H3
• InChIKey: RFHOXZXGLKTEKU-UHFFFAOYSA-N
• XLogP: 10.53
• TPSA: 343.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1547.47
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;4-[[3-[1-propanoyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]propan-1-one?

The IUPAC name of N-methyl-7-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;4-[[3-[1-propanoyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]propan-1-one (CID 160609365) is N-methyl-7-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;4-[[3-[1-propanoyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]propan-1-one.

What is the SMILES notation for N-methyl-7-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;4-[[3-[1-propanoyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]propan-1-one?

The canonical SMILES for N-methyl-7-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;4-[[3-[1-propanoyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]propan-1-one is CCC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)c1cccc(Cc3n[nH]c(=O)c4ccccc34)c1)CC2.CCC(=O)c1nc(C(F)(F)F)n2c1CNCC2.CNC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)c1cccc(Cc3n[nH]c(=O)c4ccccc34)c1)CC2.O=C(O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1.

What is the InChIKey of N-methyl-7-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;4-[[3-[1-propanoyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]propan-1-one?

The InChIKey is RFHOXZXGLKTEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O3.C25H21F3N6O3.C16H12N2O3.C10H12F3N3O/c1-2-21(35)22-20-14-33(10-11-34(20)25(30-22)26(27,28)29)24(37)16-7-5-6-15(12-16)13-19-17-8-3-4-9-18(17)23(36)32-31-19;1-29-22(36)20-19-13-33(9-10-34(19)24(30-20)25(26,27)28)23(37)15-6-4-5-14(11-15)12-18-16-7-2-3-8-17(16)21(35)32-31-18;19-15-13-7-2-1-6-12(13)14(17-18-15)9-10-4-3-5-11(8-10)16(20)21;1-2-7(17)8-6-5-14-3-4-16(6)9(15-8)10(11,12)13/h3-9,12H,2,10-11,13-14H2,1H3,(H,32,36);2-8,11H,9-10,12-13H2,1H3,(H,29,36)(H,32,35);1-8H,9H2,(H,18,19)(H,20,21);14H,2-5H2,1H3.

What are the key properties of N-methyl-7-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;4-[[3-[1-propanoyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]propan-1-one?

N-methyl-7-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;4-[[3-[1-propanoyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]propan-1-one has a molecular weight of 1547.47 g/mol, XLogP of 10.53, 14 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-7-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;4-[[3-[1-propanoyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]propan-1-one is sourced from PubChem (CID 160609365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).