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

C42H42F6N14O5 — CID 158219571

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

3-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;6-[1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]pyridine-3-carbonitrile;(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 158219571) has the molecular formula C42H42F6N14O5 and a molecular weight of 936.88 g/mol. Its IUPAC name is 3-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;6-[1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]pyridine-3-carbonitrile;(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: 3-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;6-[1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]pyridine-3-carbonitrile;(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: 158219571
• Molecular Formula: C42H42F6N14O5
• Molecular Weight: 936.88 g/mol
• Exact Mass: 936.34
• IUPAC Name: 3-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;6-[1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]pyridine-3-carbonitrile;(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)cn3)nn2C)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.C[C@H]1CNCc2cnc([C@@](C)(O)C(F)(F)F)n21.Cn1nc(-c2ccc(C#N)cn2)cc1C(=O)O
• InChI: InChI=1S/C21H20F3N7O2.C11H8N4O2.C10H14F3N3O/c1-12-10-30(11-14-9-27-19(31(12)14)20(2,33)21(22,23)24)18(32)17-6-16(28-29(17)3)15-5-4-13(7-25)8-26-15;1-15-10(11(16)17)4-9(14-15)8-3-2-7(5-12)6-13-8;1-6-3-14-4-7-5-15-8(16(6)7)9(2,17)10(11,12)13/h4-6,8-9,12,33H,10-11H2,1-3H3;2-4,6H,1H3,(H,16,17);5-6,14,17H,3-4H2,1-2H3/t12-,20+;;6-,9+/m0.0/s1
• InChIKey: GDBSDCDVDVITOI-NDHAQAJVSA-N
• XLogP: 4.91
• TPSA: 254.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.88
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;6-[1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]pyridine-3-carbonitrile;(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 3-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;6-[1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]pyridine-3-carbonitrile;(2R)-1,1,1-trifluoro-2-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]propan-2-ol (CID 158219571) is 3-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;6-[1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]pyridine-3-carbonitrile;(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 3-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;6-[1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]pyridine-3-carbonitrile;(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 3-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;6-[1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]pyridine-3-carbonitrile;(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)cn3)nn2C)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.C[C@H]1CNCc2cnc([C@@](C)(O)C(F)(F)F)n21.Cn1nc(-c2ccc(C#N)cn2)cc1C(=O)O.

What is the InChIKey of 3-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;6-[1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]pyridine-3-carbonitrile;(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 GDBSDCDVDVITOI-NDHAQAJVSA-N. The full InChI is InChI=1S/C21H20F3N7O2.C11H8N4O2.C10H14F3N3O/c1-12-10-30(11-14-9-27-19(31(12)14)20(2,33)21(22,23)24)18(32)17-6-16(28-29(17)3)15-5-4-13(7-25)8-26-15;1-15-10(11(16)17)4-9(14-15)8-3-2-7(5-12)6-13-8;1-6-3-14-4-7-5-15-8(16(6)7)9(2,17)10(11,12)13/h4-6,8-9,12,33H,10-11H2,1-3H3;2-4,6H,1H3,(H,16,17);5-6,14,17H,3-4H2,1-2H3/t12-,20+;;6-,9+/m0.0/s1.

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

3-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;6-[1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]pyridine-3-carbonitrile;(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 936.88 g/mol, XLogP of 4.91, 6 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;6-[1-methyl-5-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]pyrazol-3-yl]pyridine-3-carbonitrile;(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 158219571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).