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

C21H20F3N7O2 — CID 147087952

IUPAC6-[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
SMILESC[C@H]1CN(C(=O)c2cc(-c3ccc(C#N)cn3)nn2C)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C21H20F3N7O2/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/h4-6,8-9,12,33H,10-11H2,1-3H3/t12-,20+/m0/s1
InChIKeyBIFLYFTZKFZUAU-FKIZINRSSA-N
MW459.43 g/mol
LogP2.54
Rot. Bonds3

About 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

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 (PubChem CID 147087952) has the molecular formula C21H20F3N7O2 and a molecular weight of 459.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID147087952
Molecular FormulaC21H20F3N7O2
Molecular Weight459.43 g/mol
Exact Mass459.16
IUPAC Name6-[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
SMILESC[C@H]1CN(C(=O)c2cc(-c3ccc(C#N)cn3)nn2C)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C21H20F3N7O2/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/h4-6,8-9,12,33H,10-11H2,1-3H3/t12-,20+/m0/s1
InChIKeyBIFLYFTZKFZUAU-FKIZINRSSA-N
XLogP2.54
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 147087952) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H]1CN(C(=O)c2cc(-c3ccc(C#N)cn3)nn2C)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.
What is the InChIKey of 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?
The InChIKey is BIFLYFTZKFZUAU-FKIZINRSSA-N. The full InChI is InChI=1S/C21H20F3N7O2/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/h4-6,8-9,12,33H,10-11H2,1-3H3/t12-,20+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 459.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 147087952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).