tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine;3-(trifluoromethyl)imidazo[1,5-a]pyrazine;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)acetamide

C68H70F18N20O8 — CID 158826165

About tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine;3-(trifluoromethyl)imidazo[1,5-a]pyrazine;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)acetamide

tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine;3-(trifluoromethyl)imidazo[1,5-a]pyrazine;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)acetamide (PubChem CID 158826165) has the molecular formula C68H70F18N20O8 and a molecular weight of 1637.40 g/mol. Its IUPAC name is tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine;3-(trifluoromethyl)imidazo[1,5-a]pyrazine;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine;3-(trifluoromethyl)imidazo[1,5-a]pyrazine;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)acetamide
• PubChem CID: 158826165
• Molecular Formula: C68H70F18N20O8
• Molecular Weight: 1637.40 g/mol
• Exact Mass: 1636.54
• IUPAC Name: tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine;3-(trifluoromethyl)imidazo[1,5-a]pyrazine;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)acetamide
• SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCn2c(cnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1cc(F)c(F)cc1F.FC(F)(F)c1ncc2cnccn12.FC(F)(F)c1ncc2n1CCNC2.N#Cc1cnccn1.NCc1cnccn1.O=C(NCc1cnccn1)C(F)(F)F
• InChI: InChI=1S/C22H24F6N4O3.C15H18F3NO4.C7H6F3N3O.C7H8F3N3.C7H4F3N3.C5H7N3.C5H3N3/c1-21(2,3)35-20(34)30-13(6-12-7-16(24)17(25)9-15(12)23)8-18(33)31-4-5-32-14(11-31)10-29-19(32)22(26,27)28;1-15(2,3)23-14(22)19-9(6-13(20)21)4-8-5-11(17)12(18)7-10(8)16;8-7(9,10)6(14)13-4-5-3-11-1-2-12-5;2*8-7(9,10)6-12-4-5-3-11-1-2-13(5)6;2*6-3-5-4-7-1-2-8-5/h7,9-10,13H,4-6,8,11H2,1-3H3,(H,30,34);5,7,9H,4,6H2,1-3H3,(H,19,22)(H,20,21);1-3H,4H2,(H,13,14);4,11H,1-3H2;1-4H;1-2,4H,3,6H2;1-2,4H/t13-;9-;;;;;/m11...../s1
• InChIKey: IWMFXAXZEUCAME-LTZWAGDZSA-N
• XLogP: 10.89
• TPSA: 368.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1637.40
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine;3-(trifluoromethyl)imidazo[1,5-a]pyrazine;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)acetamide?

The IUPAC name of tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine;3-(trifluoromethyl)imidazo[1,5-a]pyrazine;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)acetamide (CID 158826165) is tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine;3-(trifluoromethyl)imidazo[1,5-a]pyrazine;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)acetamide.

What is the SMILES notation for tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine;3-(trifluoromethyl)imidazo[1,5-a]pyrazine;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)acetamide?

The canonical SMILES for tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine;3-(trifluoromethyl)imidazo[1,5-a]pyrazine;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)acetamide is CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCn2c(cnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1cc(F)c(F)cc1F.FC(F)(F)c1ncc2cnccn12.FC(F)(F)c1ncc2n1CCNC2.N#Cc1cnccn1.NCc1cnccn1.O=C(NCc1cnccn1)C(F)(F)F.

What is the InChIKey of tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine;3-(trifluoromethyl)imidazo[1,5-a]pyrazine;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)acetamide?

The InChIKey is IWMFXAXZEUCAME-LTZWAGDZSA-N. The full InChI is InChI=1S/C22H24F6N4O3.C15H18F3NO4.C7H6F3N3O.C7H8F3N3.C7H4F3N3.C5H7N3.C5H3N3/c1-21(2,3)35-20(34)30-13(6-12-7-16(24)17(25)9-15(12)23)8-18(33)31-4-5-32-14(11-31)10-29-19(32)22(26,27)28;1-15(2,3)23-14(22)19-9(6-13(20)21)4-8-5-11(17)12(18)7-10(8)16;8-7(9,10)6(14)13-4-5-3-11-1-2-12-5;2*8-7(9,10)6-12-4-5-3-11-1-2-13(5)6;2*6-3-5-4-7-1-2-8-5/h7,9-10,13H,4-6,8,11H2,1-3H3,(H,30,34);5,7,9H,4,6H2,1-3H3,(H,19,22)(H,20,21);1-3H,4H2,(H,13,14);4,11H,1-3H2;1-4H;1-2,4H,3,6H2;1-2,4H/t13-;9-;;;;;/m11...../s1.

What are the key properties of tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine;3-(trifluoromethyl)imidazo[1,5-a]pyrazine;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)acetamide?

tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine;3-(trifluoromethyl)imidazo[1,5-a]pyrazine;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)acetamide has a molecular weight of 1637.40 g/mol, XLogP of 10.89, 13 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine;3-(trifluoromethyl)imidazo[1,5-a]pyrazine;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)acetamide is sourced from PubChem (CID 158826165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).