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

C40H40F6N12O5 — CID 160684737

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

6-cyano-1-methylindazole-3-carboxylic acid;1-methyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]indazole-6-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 160684737) has the molecular formula C40H40F6N12O5 and a molecular weight of 882.83 g/mol. Its IUPAC name is 6-cyano-1-methylindazole-3-carboxylic acid;1-methyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]indazole-6-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: 6-cyano-1-methylindazole-3-carboxylic acid;1-methyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]indazole-6-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: 160684737
• Molecular Formula: C40H40F6N12O5
• Molecular Weight: 882.83 g/mol
• Exact Mass: 882.31
• IUPAC Name: 6-cyano-1-methylindazole-3-carboxylic acid;1-methyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]indazole-6-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)c2nn(C)c3cc(C#N)ccc23)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.C[C@H]1CNCc2cnc([C@@](C)(O)C(F)(F)F)n21.Cn1nc(C(=O)O)c2ccc(C#N)cc21
• InChI: InChI=1S/C20H19F3N6O2.C10H14F3N3O.C10H7N3O2/c1-11-9-28(10-13-8-25-18(29(11)13)19(2,31)20(21,22)23)17(30)16-14-5-4-12(7-24)6-15(14)27(3)26-16;1-6-3-14-4-7-5-15-8(16(6)7)9(2,17)10(11,12)13;1-13-8-4-6(5-11)2-3-7(8)9(12-13)10(14)15/h4-6,8,11,31H,9-10H2,1-3H3;5-6,14,17H,3-4H2,1-2H3;2-4H,1H3,(H,14,15)/t11-,19+;6-,9+;/m00./s1
• InChIKey: ROPNESCTDCWHKE-MQFFEJDMSA-N
• XLogP: 5.09
• TPSA: 228.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 4
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	882.83
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-cyano-1-methylindazole-3-carboxylic acid;1-methyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]indazole-6-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 6-cyano-1-methylindazole-3-carboxylic acid;1-methyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]indazole-6-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 160684737) is 6-cyano-1-methylindazole-3-carboxylic acid;1-methyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]indazole-6-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 6-cyano-1-methylindazole-3-carboxylic acid;1-methyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]indazole-6-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 6-cyano-1-methylindazole-3-carboxylic acid;1-methyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]indazole-6-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)c2nn(C)c3cc(C#N)ccc23)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.C[C@H]1CNCc2cnc([C@@](C)(O)C(F)(F)F)n21.Cn1nc(C(=O)O)c2ccc(C#N)cc21.

What is the InChIKey of 6-cyano-1-methylindazole-3-carboxylic acid;1-methyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]indazole-6-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 ROPNESCTDCWHKE-MQFFEJDMSA-N. The full InChI is InChI=1S/C20H19F3N6O2.C10H14F3N3O.C10H7N3O2/c1-11-9-28(10-13-8-25-18(29(11)13)19(2,31)20(21,22)23)17(30)16-14-5-4-12(7-24)6-15(14)27(3)26-16;1-6-3-14-4-7-5-15-8(16(6)7)9(2,17)10(11,12)13;1-13-8-4-6(5-11)2-3-7(8)9(12-13)10(14)15/h4-6,8,11,31H,9-10H2,1-3H3;5-6,14,17H,3-4H2,1-2H3;2-4H,1H3,(H,14,15)/t11-,19+;6-,9+;/m00./s1.

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

6-cyano-1-methylindazole-3-carboxylic acid;1-methyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]indazole-6-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 882.83 g/mol, XLogP of 5.09, 4 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyano-1-methylindazole-3-carboxylic acid;1-methyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]indazole-6-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 160684737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).