1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;1-bromo-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methyl 7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3,4,5-trifluoroaniline;bis(1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride

C79H74Br2ClF24N21O8 — CID 158225922

About 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;1-bromo-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methyl 7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3,4,5-trifluoroaniline;bis(1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride

1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;1-bromo-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methyl 7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3,4,5-trifluoroaniline;bis(1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride (PubChem CID 158225922) has the molecular formula C79H74Br2ClF24N21O8 and a molecular weight of 2096.81 g/mol. Its IUPAC name is 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;1-bromo-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methyl 7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3,4,5-trifluoroaniline;bis(1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;1-bromo-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methyl 7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3,4,5-trifluoroaniline;bis(1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride
• PubChem CID: 158225922
• Molecular Formula: C79H74Br2ClF24N21O8
• Molecular Weight: 2096.81 g/mol
• Exact Mass: 2093.37
• IUPAC Name: 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;1-bromo-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methyl 7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3,4,5-trifluoroaniline;bis(1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride
• SMILES: Brc1ncn2c1CNCC2.COC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2)C(F)(F)F.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2)C(F)(F)F.C[C@@H](N)C(F)(F)F.Cl.Nc1cc(F)c(F)c(F)c1.O=C(Nc1cc(F)c(F)c(F)c1)N1CCn2cnc(Br)c2C1
• InChI: InChI=1S/2C18H16F6N4O2.C15H13F3N4O3.C13H10BrF3N4O.C6H8BrN3.C6H4F3N.C3H6F3N.ClH/c2*1-9(18(22,23)24)4-14(29)16-13-7-27(2-3-28(13)8-25-16)17(30)26-10-5-11(19)15(21)12(20)6-10;1-25-14(23)13-11-6-21(2-3-22(11)7-19-13)15(24)20-8-4-9(16)12(18)10(17)5-8;14-12-10-5-20(1-2-21(10)6-18-12)13(22)19-7-3-8(15)11(17)9(16)4-7;7-6-5-3-8-1-2-10(5)4-9-6;7-4-1-3(10)2-5(8)6(4)9;1-2(7)3(4,5)6;/h2*5-6,8-9H,2-4,7H2,1H3,(H,26,30);4-5,7H,2-3,6H2,1H3,(H,20,24);3-4,6H,1-2,5H2,(H,19,22);4,8H,1-3H2;1-2H,10H2;2H,7H2,1H3;1H/t2*9-;;;;;2-;/m00....1./s1
• InChIKey: BAJRIIOGYPOFPC-VZVAGZRISA-N
• XLogP: 17.24
• TPSA: 342.97 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2096.81
LogP ≤ 5	17.24
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;1-bromo-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methyl 7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3,4,5-trifluoroaniline;bis(1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride?

The IUPAC name of 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;1-bromo-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methyl 7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3,4,5-trifluoroaniline;bis(1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride (CID 158225922) is 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;1-bromo-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methyl 7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3,4,5-trifluoroaniline;bis(1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride.

What is the SMILES notation for 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;1-bromo-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methyl 7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3,4,5-trifluoroaniline;bis(1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride?

The canonical SMILES for 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;1-bromo-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methyl 7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3,4,5-trifluoroaniline;bis(1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride is Brc1ncn2c1CNCC2.COC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2)C(F)(F)F.C[C@@H](CC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2)C(F)(F)F.C[C@@H](N)C(F)(F)F.Cl.Nc1cc(F)c(F)c(F)c1.O=C(Nc1cc(F)c(F)c(F)c1)N1CCn2cnc(Br)c2C1.

What is the InChIKey of 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;1-bromo-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methyl 7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3,4,5-trifluoroaniline;bis(1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride?

The InChIKey is BAJRIIOGYPOFPC-VZVAGZRISA-N. The full InChI is InChI=1S/2C18H16F6N4O2.C15H13F3N4O3.C13H10BrF3N4O.C6H8BrN3.C6H4F3N.C3H6F3N.ClH/c2*1-9(18(22,23)24)4-14(29)16-13-7-27(2-3-28(13)8-25-16)17(30)26-10-5-11(19)15(21)12(20)6-10;1-25-14(23)13-11-6-21(2-3-22(11)7-19-13)15(24)20-8-4-9(16)12(18)10(17)5-8;14-12-10-5-20(1-2-21(10)6-18-12)13(22)19-7-3-8(15)11(17)9(16)4-7;7-6-5-3-8-1-2-10(5)4-9-6;7-4-1-3(10)2-5(8)6(4)9;1-2(7)3(4,5)6;/h2*5-6,8-9H,2-4,7H2,1H3,(H,26,30);4-5,7H,2-3,6H2,1H3,(H,20,24);3-4,6H,1-2,5H2,(H,19,22);4,8H,1-3H2;1-2H,10H2;2H,7H2,1H3;1H/t2*9-;;;;;2-;/m00....1./s1.

What are the key properties of 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;1-bromo-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methyl 7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3,4,5-trifluoroaniline;bis(1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride?

1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;1-bromo-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methyl 7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3,4,5-trifluoroaniline;bis(1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride has a molecular weight of 2096.81 g/mol, XLogP of 17.24, 11 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;1-bromo-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methyl 7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3,4,5-trifluoroaniline;bis(1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);(2R)-1,1,1-trifluoropropan-2-amine;hydrochloride is sourced from PubChem (CID 158225922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).