bis((6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3-methyloxetan-3-amine;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;2,2,2-trifluoroacetic acid

C86H93F15N20O17 — CID 158000017

About bis((6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3-methyloxetan-3-amine;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;2,2,2-trifluoroacetic acid

bis((6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3-methyloxetan-3-amine;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 158000017) has the molecular formula C86H93F15N20O17 and a molecular weight of 1963.78 g/mol. Its IUPAC name is bis((6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3-methyloxetan-3-amine;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: bis((6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3-methyloxetan-3-amine;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;2,2,2-trifluoroacetic acid
• PubChem CID: 158000017
• Molecular Formula: C86H93F15N20O17
• Molecular Weight: 1963.78 g/mol
• Exact Mass: 1962.68
• IUPAC Name: bis((6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3-methyloxetan-3-amine;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;2,2,2-trifluoroacetic acid
• SMILES: CC1(N)COC1.COC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@@H](C)C2.COC(=O)c1ncn2c1CN[C@@H](C)C2.C[C@H]1Cn2cnc(C(=O)CC3(C)COC3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2cnc(C(=O)CC3(C)COC3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2cnc(C(=O)O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/2C20H21F3N4O3.C16H15F3N4O3.C15H13F3N4O3.C9H13N3O2.C4H9NO.C2HF3O2/c2*1-11-6-26-10-24-18(16(28)5-20(2)8-30-9-20)15(26)7-27(11)19(29)25-12-3-13(21)17(23)14(22)4-12;1-8-5-22-7-20-14(15(24)26-2)12(22)6-23(8)16(25)21-9-3-10(17)13(19)11(18)4-9;1-7-4-21-6-19-13(14(23)24)11(21)5-22(7)15(25)20-8-2-9(16)12(18)10(17)3-8;1-6-4-12-5-11-8(9(13)14-2)7(12)3-10-6;1-4(5)2-6-3-4;3-2(4,5)1(6)7/h2*3-4,10-11H,5-9H2,1-2H3,(H,25,29);3-4,7-8H,5-6H2,1-2H3,(H,21,25);2-3,6-7H,4-5H2,1H3,(H,20,25)(H,23,24);5-6,10H,3-4H2,1-2H3;2-3,5H2,1H3;(H,6,7)/t2*11-;8-;7-;6-;;/m00000../s1
• InChIKey: QUSORHMXLDKEFF-JXDVMUCRSA-N
• XLogP: 12.18
• TPSA: 445.54 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1963.78
LogP ≤ 5	12.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis((6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3-methyloxetan-3-amine;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;2,2,2-trifluoroacetic acid?

The IUPAC name of bis((6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3-methyloxetan-3-amine;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;2,2,2-trifluoroacetic acid (CID 158000017) is bis((6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3-methyloxetan-3-amine;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;2,2,2-trifluoroacetic acid.

What is the SMILES notation for bis((6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3-methyloxetan-3-amine;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;2,2,2-trifluoroacetic acid?

The canonical SMILES for bis((6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3-methyloxetan-3-amine;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;2,2,2-trifluoroacetic acid is CC1(N)COC1.COC(=O)c1ncn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@@H](C)C2.COC(=O)c1ncn2c1CN[C@@H](C)C2.C[C@H]1Cn2cnc(C(=O)CC3(C)COC3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2cnc(C(=O)CC3(C)COC3)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2cnc(C(=O)O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.O=C(O)C(F)(F)F.

What is the InChIKey of bis((6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3-methyloxetan-3-amine;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;2,2,2-trifluoroacetic acid?

The InChIKey is QUSORHMXLDKEFF-JXDVMUCRSA-N. The full InChI is InChI=1S/2C20H21F3N4O3.C16H15F3N4O3.C15H13F3N4O3.C9H13N3O2.C4H9NO.C2HF3O2/c2*1-11-6-26-10-24-18(16(28)5-20(2)8-30-9-20)15(26)7-27(11)19(29)25-12-3-13(21)17(23)14(22)4-12;1-8-5-22-7-20-14(15(24)26-2)12(22)6-23(8)16(25)21-9-3-10(17)13(19)11(18)4-9;1-7-4-21-6-19-13(14(23)24)11(21)5-22(7)15(25)20-8-2-9(16)12(18)10(17)3-8;1-6-4-12-5-11-8(9(13)14-2)7(12)3-10-6;1-4(5)2-6-3-4;3-2(4,5)1(6)7/h2*3-4,10-11H,5-9H2,1-2H3,(H,25,29);3-4,7-8H,5-6H2,1-2H3,(H,21,25);2-3,6-7H,4-5H2,1H3,(H,20,25)(H,23,24);5-6,10H,3-4H2,1-2H3;2-3,5H2,1H3;(H,6,7)/t2*11-;8-;7-;6-;;/m00000../s1.

What are the key properties of bis((6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3-methyloxetan-3-amine;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;2,2,2-trifluoroacetic acid?

bis((6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3-methyloxetan-3-amine;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 1963.78 g/mol, XLogP of 12.18, 13 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis((6S)-6-methyl-1-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide);methyl (6S)-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;methyl (6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;3-methyloxetan-3-amine;(6S)-6-methyl-7-[(3,4,5-trifluorophenyl)carbamoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158000017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).