3-methyl-4-[1-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]pyrazol-3-yl]benzonitrile

C23H23F3N6O2 — CID 149008323

IUPAC3-methyl-4-[1-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]pyrazol-3-yl]benzonitrile
SMILESCc1cc(C#N)ccc1-c1cc(C(=O)N2Cc3cnc([C@@](C)(O)C(F)(F)F)n3[C@@H](C)C2)n(C)n1
InChIInChI=1S/C23H23F3N6O2/c1-13-7-15(9-27)5-6-17(13)18-8-19(30(4)29-18)20(33)31-11-14(2)32-16(12-31)10-28-21(32)22(3,34)23(24,25)26/h5-8,10,14,34H,11-12H2,1-4H3/t14-,22+/m0/s1
InChIKeyQBALEQIKDARBEA-RCDICMHDSA-N
MW472.47 g/mol
LogP3.45
Rot. Bonds3

About 3-methyl-4-[1-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]pyrazol-3-yl]benzonitrile

3-methyl-4-[1-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]pyrazol-3-yl]benzonitrile (PubChem CID 149008323) has the molecular formula C23H23F3N6O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is 3-methyl-4-[1-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]pyrazol-3-yl]benzonitrile.

Molecular Properties

Compound Name3-methyl-4-[1-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]pyrazol-3-yl]benzonitrile
PubChem CID149008323
Molecular FormulaC23H23F3N6O2
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC Name3-methyl-4-[1-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]pyrazol-3-yl]benzonitrile
SMILESCc1cc(C#N)ccc1-c1cc(C(=O)N2Cc3cnc([C@@](C)(O)C(F)(F)F)n3[C@@H](C)C2)n(C)n1
InChIInChI=1S/C23H23F3N6O2/c1-13-7-15(9-27)5-6-17(13)18-8-19(30(4)29-18)20(33)31-11-14(2)32-16(12-31)10-28-21(32)22(3,34)23(24,25)26/h5-8,10,14,34H,11-12H2,1-4H3/t14-,22+/m0/s1
InChIKeyQBALEQIKDARBEA-RCDICMHDSA-N
XLogP3.45
TPSA99.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-4-[1-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]pyrazol-3-yl]benzonitrile with MolForge

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Related Compounds

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CID 153572325
CID 153572325
CID 153572508
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CID 153572565
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CID 168271568
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CID 130200307
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CID 118393704
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CID 122609212
CID 122609212

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[1-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]pyrazol-3-yl]benzonitrile?
The IUPAC name of 3-methyl-4-[1-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]pyrazol-3-yl]benzonitrile (CID 149008323) is 3-methyl-4-[1-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]pyrazol-3-yl]benzonitrile.
What is the SMILES notation for 3-methyl-4-[1-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]pyrazol-3-yl]benzonitrile?
The canonical SMILES for 3-methyl-4-[1-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]pyrazol-3-yl]benzonitrile is Cc1cc(C#N)ccc1-c1cc(C(=O)N2Cc3cnc([C@@](C)(O)C(F)(F)F)n3[C@@H](C)C2)n(C)n1.
What is the InChIKey of 3-methyl-4-[1-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]pyrazol-3-yl]benzonitrile?
The InChIKey is QBALEQIKDARBEA-RCDICMHDSA-N. The full InChI is InChI=1S/C23H23F3N6O2/c1-13-7-15(9-27)5-6-17(13)18-8-19(30(4)29-18)20(33)31-11-14(2)32-16(12-31)10-28-21(32)22(3,34)23(24,25)26/h5-8,10,14,34H,11-12H2,1-4H3/t14-,22+/m0/s1.
What are the key properties of 3-methyl-4-[1-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]pyrazol-3-yl]benzonitrile?
3-methyl-4-[1-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]pyrazol-3-yl]benzonitrile has a molecular weight of 472.47 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[1-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]pyrazol-3-yl]benzonitrile is sourced from PubChem (CID 149008323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).