(6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C18H16F4N4O3 — CID 153311243

IUPAC(6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C(=O)c2nc3ccc(F)cc3o2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C18H16F4N4O3/c1-9-7-25(15(27)14-24-12-4-3-10(19)5-13(12)29-14)8-11-6-23-16(26(9)11)17(2,28)18(20,21)22/h3-6,9,28H,7-8H2,1-2H3/t9-,17+/m0/s1
InChIKeyWIVWGJJPMANMAK-HUTHGQBESA-N
MW412.34 g/mol
LogP3.15
Rot. Bonds2

About (6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

(6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 153311243) has the molecular formula C18H16F4N4O3 and a molecular weight of 412.34 g/mol. Its IUPAC name is (6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID153311243
Molecular FormulaC18H16F4N4O3
Molecular Weight412.34 g/mol
Exact Mass412.12
IUPAC Name(6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@H]1CN(C(=O)c2nc3ccc(F)cc3o2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C18H16F4N4O3/c1-9-7-25(15(27)14-24-12-4-3-10(19)5-13(12)29-14)8-11-6-23-16(26(9)11)17(2,28)18(20,21)22/h3-6,9,28H,7-8H2,1-2H3/t9-,17+/m0/s1
InChIKeyWIVWGJJPMANMAK-HUTHGQBESA-N
XLogP3.15
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of (6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 153311243) is (6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for (6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is C[C@H]1CN(C(=O)c2nc3ccc(F)cc3o2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.
What is the InChIKey of (6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is WIVWGJJPMANMAK-HUTHGQBESA-N. The full InChI is InChI=1S/C18H16F4N4O3/c1-9-7-25(15(27)14-24-12-4-3-10(19)5-13(12)29-14)8-11-6-23-16(26(9)11)17(2,28)18(20,21)22/h3-6,9,28H,7-8H2,1-2H3/t9-,17+/m0/s1.
What are the key properties of (6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
(6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 412.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1,3-benzoxazol-2-yl)-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 153311243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).