4-[4-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]-1,3-oxazol-2-yl]benzonitrile

C22H20F3N5O3 — CID 153311205

IUPAC4-[4-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]-1,3-oxazol-2-yl]benzonitrile
SMILESCc1nc(-c2ccc(C#N)cc2)oc1C(=O)N1Cc2cnc([C@@](C)(O)C(F)(F)F)n2[C@@H](C)C1
InChIInChI=1S/C22H20F3N5O3/c1-12-10-29(11-16-9-27-20(30(12)16)21(3,32)22(23,24)25)19(31)17-13(2)28-18(33-17)15-6-4-14(8-26)5-7-15/h4-7,9,12,32H,10-11H2,1-3H3/t12-,21+/m0/s1
InChIKeyYXBMUKIETBHKNP-LAJNKCICSA-N
MW459.43 g/mol
LogP3.70
Rot. Bonds3

About 4-[4-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]-1,3-oxazol-2-yl]benzonitrile

4-[4-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]-1,3-oxazol-2-yl]benzonitrile (PubChem CID 153311205) has the molecular formula C22H20F3N5O3 and a molecular weight of 459.43 g/mol. Its IUPAC name is 4-[4-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]-1,3-oxazol-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-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]-1,3-oxazol-2-yl]benzonitrile
PubChem CID153311205
Molecular FormulaC22H20F3N5O3
Molecular Weight459.43 g/mol
Exact Mass459.15
IUPAC Name4-[4-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]-1,3-oxazol-2-yl]benzonitrile
SMILESCc1nc(-c2ccc(C#N)cc2)oc1C(=O)N1Cc2cnc([C@@](C)(O)C(F)(F)F)n2[C@@H](C)C1
InChIInChI=1S/C22H20F3N5O3/c1-12-10-29(11-16-9-27-20(30(12)16)21(3,32)22(23,24)25)19(31)17-13(2)28-18(33-17)15-6-4-14(8-26)5-7-15/h4-7,9,12,32H,10-11H2,1-3H3/t12-,21+/m0/s1
InChIKeyYXBMUKIETBHKNP-LAJNKCICSA-N
XLogP3.70
TPSA108.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-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]-1,3-oxazol-2-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-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]-1,3-oxazol-2-yl]benzonitrile?
The IUPAC name of 4-[4-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]-1,3-oxazol-2-yl]benzonitrile (CID 153311205) is 4-[4-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]-1,3-oxazol-2-yl]benzonitrile.
What is the SMILES notation for 4-[4-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]-1,3-oxazol-2-yl]benzonitrile?
The canonical SMILES for 4-[4-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]-1,3-oxazol-2-yl]benzonitrile is Cc1nc(-c2ccc(C#N)cc2)oc1C(=O)N1Cc2cnc([C@@](C)(O)C(F)(F)F)n2[C@@H](C)C1.
What is the InChIKey of 4-[4-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]-1,3-oxazol-2-yl]benzonitrile?
The InChIKey is YXBMUKIETBHKNP-LAJNKCICSA-N. The full InChI is InChI=1S/C22H20F3N5O3/c1-12-10-29(11-16-9-27-20(30(12)16)21(3,32)22(23,24)25)19(31)17-13(2)28-18(33-17)15-6-4-14(8-26)5-7-15/h4-7,9,12,32H,10-11H2,1-3H3/t12-,21+/m0/s1.
What are the key properties of 4-[4-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]-1,3-oxazol-2-yl]benzonitrile?
4-[4-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]-1,3-oxazol-2-yl]benzonitrile has a molecular weight of 459.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-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]-1,3-oxazol-2-yl]benzonitrile is sourced from PubChem (CID 153311205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).