6-[2-fluoro-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]phenyl]pyridine-3-carbonitrile

C23H19F4N5O2 — CID 147205052

IUPAC6-[2-fluoro-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]phenyl]pyridine-3-carbonitrile
SMILESC[C@H]1CN(C(=O)c2ccc(F)c(-c3ccc(C#N)cn3)c2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C23H19F4N5O2/c1-13-11-31(12-16-10-30-21(32(13)16)22(2,34)23(25,26)27)20(33)15-4-5-18(24)17(7-15)19-6-3-14(8-28)9-29-19/h3-7,9-10,13,34H,11-12H2,1-2H3/t13-,22+/m0/s1
InChIKeyCECDQIYLZLGLFB-WHEQGISXSA-N
MW473.43 g/mol
LogP3.94
Rot. Bonds3

About 6-[2-fluoro-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]phenyl]pyridine-3-carbonitrile

6-[2-fluoro-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]phenyl]pyridine-3-carbonitrile (PubChem CID 147205052) has the molecular formula C23H19F4N5O2 and a molecular weight of 473.43 g/mol. Its IUPAC name is 6-[2-fluoro-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]phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-fluoro-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]phenyl]pyridine-3-carbonitrile
PubChem CID147205052
Molecular FormulaC23H19F4N5O2
Molecular Weight473.43 g/mol
Exact Mass473.15
IUPAC Name6-[2-fluoro-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]phenyl]pyridine-3-carbonitrile
SMILESC[C@H]1CN(C(=O)c2ccc(F)c(-c3ccc(C#N)cn3)c2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C23H19F4N5O2/c1-13-11-31(12-16-10-30-21(32(13)16)22(2,34)23(25,26)27)20(33)15-4-5-18(24)17(7-15)19-6-3-14(8-28)9-29-19/h3-7,9-10,13,34H,11-12H2,1-2H3/t13-,22+/m0/s1
InChIKeyCECDQIYLZLGLFB-WHEQGISXSA-N
XLogP3.94
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-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]phenyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-fluoro-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]phenyl]pyridine-3-carbonitrile (CID 147205052) is 6-[2-fluoro-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]phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-fluoro-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]phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-fluoro-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]phenyl]pyridine-3-carbonitrile is C[C@H]1CN(C(=O)c2ccc(F)c(-c3ccc(C#N)cn3)c2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.
What is the InChIKey of 6-[2-fluoro-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]phenyl]pyridine-3-carbonitrile?
The InChIKey is CECDQIYLZLGLFB-WHEQGISXSA-N. The full InChI is InChI=1S/C23H19F4N5O2/c1-13-11-31(12-16-10-30-21(32(13)16)22(2,34)23(25,26)27)20(33)15-4-5-18(24)17(7-15)19-6-3-14(8-28)9-29-19/h3-7,9-10,13,34H,11-12H2,1-2H3/t13-,22+/m0/s1.
What are the key properties of 6-[2-fluoro-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]phenyl]pyridine-3-carbonitrile?
6-[2-fluoro-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]phenyl]pyridine-3-carbonitrile has a molecular weight of 473.43 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-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]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 147205052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).