bis([3-(4-fluorophenyl)-1-methylpyrazol-5-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);hydrochloride

C42H43ClF8N10O4 — CID 160503322

IUPACbis([3-(4-fluorophenyl)-1-methylpyrazol-5-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);hydrochloride
SMILESC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)nn2C)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.C[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)nn2C)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.Cl
InChIInChI=1S/2C21H21F4N5O2.ClH/c2*1-12-10-29(11-15-9-26-19(30(12)15)20(2,32)21(23,24)25)18(31)17-8-16(27-28(17)3)13-4-6-14(22)7-5-13;/h2*4-9,12,32H,10-11H2,1-3H3;1H/t2*12-,20+;/m00./s1
InChIKeyVRHSGQSTJGSVOT-YNJHPUDBSA-N
MW939.31 g/mol
LogP7.24
Rot. Bonds6

About bis([3-(4-fluorophenyl)-1-methylpyrazol-5-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);hydrochloride

bis([3-(4-fluorophenyl)-1-methylpyrazol-5-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);hydrochloride (PubChem CID 160503322) has the molecular formula C42H43ClF8N10O4 and a molecular weight of 939.31 g/mol. Its IUPAC name is bis([3-(4-fluorophenyl)-1-methylpyrazol-5-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);hydrochloride.

Molecular Properties

Compound Namebis([3-(4-fluorophenyl)-1-methylpyrazol-5-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);hydrochloride
PubChem CID160503322
Molecular FormulaC42H43ClF8N10O4
Molecular Weight939.31 g/mol
Exact Mass938.30
IUPAC Namebis([3-(4-fluorophenyl)-1-methylpyrazol-5-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);hydrochloride
SMILESC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)nn2C)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.C[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)nn2C)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.Cl
InChIInChI=1S/2C21H21F4N5O2.ClH/c2*1-12-10-29(11-15-9-26-19(30(12)15)20(2,32)21(23,24)25)18(31)17-8-16(27-28(17)3)13-4-6-14(22)7-5-13;/h2*4-9,12,32H,10-11H2,1-3H3;1H/t2*12-,20+;/m00./s1
InChIKeyVRHSGQSTJGSVOT-YNJHPUDBSA-N
XLogP7.24
TPSA152.36 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500939.31
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze bis([3-(4-fluorophenyl)-1-methylpyrazol-5-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);hydrochloride with MolForge

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Related Compounds

2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(1-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 118538666
6-(4-fluorophenyl-N-(6-(4-(4-fluorophenyl)-1,2-di-methyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl)pyrimidine-4-carboxamide
CID 118547790
US11633395, Example 13
CID 142598724
US11597728, Example 228
CID 146480260
US11597728, Example 340
CID 146480507
US11597728, Example 339
CID 146480782
US10800784, Example 16
CID 146800392
US10800784, Example 73
CID 147087952
US10800784, Example 50
CID 147316812
US10800784, Example 15
CID 147497583
US10800784, Example 53
CID 148524648
US10800784, Example 75
CID 149008323

Frequently Asked Questions

What is the IUPAC name of bis([3-(4-fluorophenyl)-1-methylpyrazol-5-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);hydrochloride?
The IUPAC name of bis([3-(4-fluorophenyl)-1-methylpyrazol-5-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);hydrochloride (CID 160503322) is bis([3-(4-fluorophenyl)-1-methylpyrazol-5-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);hydrochloride.
What is the SMILES notation for bis([3-(4-fluorophenyl)-1-methylpyrazol-5-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);hydrochloride?
The canonical SMILES for bis([3-(4-fluorophenyl)-1-methylpyrazol-5-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);hydrochloride is C[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)nn2C)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.C[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)nn2C)Cc2cnc([C@@](C)(O)C(F)(F)F)n21.Cl.
What is the InChIKey of bis([3-(4-fluorophenyl)-1-methylpyrazol-5-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);hydrochloride?
The InChIKey is VRHSGQSTJGSVOT-YNJHPUDBSA-N. The full InChI is InChI=1S/2C21H21F4N5O2.ClH/c2*1-12-10-29(11-15-9-26-19(30(12)15)20(2,32)21(23,24)25)18(31)17-8-16(27-28(17)3)13-4-6-14(22)7-5-13;/h2*4-9,12,32H,10-11H2,1-3H3;1H/t2*12-,20+;/m00./s1.
What are the key properties of bis([3-(4-fluorophenyl)-1-methylpyrazol-5-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);hydrochloride?
bis([3-(4-fluorophenyl)-1-methylpyrazol-5-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);hydrochloride has a molecular weight of 939.31 g/mol, XLogP of 7.24, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis([3-(4-fluorophenyl)-1-methylpyrazol-5-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);hydrochloride is sourced from PubChem (CID 160503322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).