[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-[(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

C21H24F5N5O2 — CID 153311197

IUPAC[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-[(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)c2ccnc(N3CCC(F)(F)CC3)c2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C21H24F5N5O2/c1-13-11-30(12-15-10-28-18(31(13)15)19(2,33)21(24,25)26)17(32)14-3-6-27-16(9-14)29-7-4-20(22,23)5-8-29/h3,6,9-10,13,33H,4-5,7-8,11-12H2,1-2H3/t13-,19+/m0/s1
InChIKeySOSHINBXLNHODF-ORAYPTAESA-N
MW473.45 g/mol
LogP3.50
Rot. Bonds3

About [2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-[(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

[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-[(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 153311197) has the molecular formula C21H24F5N5O2 and a molecular weight of 473.45 g/mol. Its IUPAC name is [2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-[(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[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-[(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 CID153311197
Molecular FormulaC21H24F5N5O2
Molecular Weight473.45 g/mol
Exact Mass473.19
IUPAC Name[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-[(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)c2ccnc(N3CCC(F)(F)CC3)c2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21
InChIInChI=1S/C21H24F5N5O2/c1-13-11-30(12-15-10-28-18(31(13)15)19(2,33)21(24,25)26)17(32)14-3-6-27-16(9-14)29-7-4-20(22,23)5-8-29/h3,6,9-10,13,33H,4-5,7-8,11-12H2,1-2H3/t13-,19+/m0/s1
InChIKeySOSHINBXLNHODF-ORAYPTAESA-N
XLogP3.50
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-[(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 [2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-[(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 153311197) is [2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-[(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 [2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-[(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 [2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-[(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)c2ccnc(N3CCC(F)(F)CC3)c2)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.
What is the InChIKey of [2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-[(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 SOSHINBXLNHODF-ORAYPTAESA-N. The full InChI is InChI=1S/C21H24F5N5O2/c1-13-11-30(12-15-10-28-18(31(13)15)19(2,33)21(24,25)26)17(32)14-3-6-27-16(9-14)29-7-4-20(22,23)5-8-29/h3,6,9-10,13,33H,4-5,7-8,11-12H2,1-2H3/t13-,19+/m0/s1.
What are the key properties of [2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-[(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?
[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-[(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 473.45 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-[(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 153311197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).