5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylic acid;4-[5-fluoro-4-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-2-pyridinyl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol

C45H40F9N9O5 — CID 160882470

About 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylic acid;4-[5-fluoro-4-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-2-pyridinyl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol

5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylic acid;4-[5-fluoro-4-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-2-pyridinyl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol (PubChem CID 160882470) has the molecular formula C45H40F9N9O5 and a molecular weight of 957.85 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylic acid;4-[5-fluoro-4-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-2-pyridinyl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol.

Molecular Properties

• Compound Name: 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylic acid;4-[5-fluoro-4-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-2-pyridinyl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol
• PubChem CID: 160882470
• Molecular Formula: C45H40F9N9O5
• Molecular Weight: 957.85 g/mol
• Exact Mass: 957.30
• IUPAC Name: 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylic acid;4-[5-fluoro-4-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-2-pyridinyl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol
• SMILES: C[C@H]1CN(C(=O)c2cc(-c3ccc(C#N)cc3)ncc2F)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.C[C@H]1CNCc2cnc([C@@](C)(O)C(F)(F)F)n21.O=C(O)c1cc(-c2ccc(F)cc2)ncc1F
• InChI: InChI=1S/C23H19F4N5O2.C12H7F2NO2.C10H14F3N3O/c1-13-11-31(12-16-9-30-21(32(13)16)22(2,34)23(25,26)27)20(33)17-7-19(29-10-18(17)24)15-5-3-14(8-28)4-6-15;13-8-3-1-7(2-4-8)11-5-9(12(16)17)10(14)6-15-11;1-6-3-14-4-7-5-15-8(16(6)7)9(2,17)10(11,12)13/h3-7,9-10,13,34H,11-12H2,1-2H3;1-6H,(H,16,17);5-6,14,17H,3-4H2,1-2H3/t13-,22+;;6-,9+/m0.0/s1
• InChIKey: SNFCPANDTSJLBB-IWDADYRVSA-N
• XLogP: 7.98
• TPSA: 195.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	957.85
LogP ≤ 5	7.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylic acid;4-[5-fluoro-4-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-2-pyridinyl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol?

The IUPAC name of 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylic acid;4-[5-fluoro-4-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-2-pyridinyl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol (CID 160882470) is 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylic acid;4-[5-fluoro-4-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-2-pyridinyl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol.

What is the SMILES notation for 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylic acid;4-[5-fluoro-4-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-2-pyridinyl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol?

The canonical SMILES for 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylic acid;4-[5-fluoro-4-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-2-pyridinyl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol is C[C@H]1CN(C(=O)c2cc(-c3ccc(C#N)cc3)ncc2F)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.C[C@H]1CNCc2cnc([C@@](C)(O)C(F)(F)F)n21.O=C(O)c1cc(-c2ccc(F)cc2)ncc1F.

What is the InChIKey of 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylic acid;4-[5-fluoro-4-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-2-pyridinyl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol?

The InChIKey is SNFCPANDTSJLBB-IWDADYRVSA-N. The full InChI is InChI=1S/C23H19F4N5O2.C12H7F2NO2.C10H14F3N3O/c1-13-11-31(12-16-9-30-21(32(13)16)22(2,34)23(25,26)27)20(33)17-7-19(29-10-18(17)24)15-5-3-14(8-28)4-6-15;13-8-3-1-7(2-4-8)11-5-9(12(16)17)10(14)6-15-11;1-6-3-14-4-7-5-15-8(16(6)7)9(2,17)10(11,12)13/h3-7,9-10,13,34H,11-12H2,1-2H3;1-6H,(H,16,17);5-6,14,17H,3-4H2,1-2H3/t13-,22+;;6-,9+/m0.0/s1.

What are the key properties of 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylic acid;4-[5-fluoro-4-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-2-pyridinyl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol?

5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylic acid;4-[5-fluoro-4-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-2-pyridinyl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol has a molecular weight of 957.85 g/mol, XLogP of 7.98, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylic acid;4-[5-fluoro-4-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-2-pyridinyl]benzonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol is sourced from PubChem (CID 160882470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).