(2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide

C24H21F4N5O2 — CID 156646373

IUPAC(2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide
SMILES[2H]C([2H])([2H])c1nc(-c2ccc(NC(=O)[C@@H](O)c3cc(F)cc(C(F)(F)F)c3)cc2C)c2c(N)ncc(C)n12
InChIInChI=1S/C24H21F4N5O2/c1-11-6-17(32-23(35)21(34)14-7-15(24(26,27)28)9-16(25)8-14)4-5-18(11)19-20-22(29)30-10-12(2)33(20)13(3)31-19/h4-10,21,34H,1-3H3,(H2,29,30)(H,32,35)/t21-/m0/s1/i3D3
InChIKeyFAEWKZOHCUAMIM-CZHKOJODSA-N
MW490.48 g/mol
LogP4.73
Rot. Bonds5

About (2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide

(2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide (PubChem CID 156646373) has the molecular formula C24H21F4N5O2 and a molecular weight of 490.48 g/mol. Its IUPAC name is (2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide
PubChem CID156646373
Molecular FormulaC24H21F4N5O2
Molecular Weight490.48 g/mol
Exact Mass490.18
IUPAC Name(2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide
SMILES[2H]C([2H])([2H])c1nc(-c2ccc(NC(=O)[C@@H](O)c3cc(F)cc(C(F)(F)F)c3)cc2C)c2c(N)ncc(C)n12
InChIInChI=1S/C24H21F4N5O2/c1-11-6-17(32-23(35)21(34)14-7-15(24(26,27)28)9-16(25)8-14)4-5-18(11)19-20-22(29)30-10-12(2)33(20)13(3)31-19/h4-10,21,34H,1-3H3,(H2,29,30)(H,32,35)/t21-/m0/s1/i3D3
InChIKeyFAEWKZOHCUAMIM-CZHKOJODSA-N
XLogP4.73
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide?
The IUPAC name of (2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide (CID 156646373) is (2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide.
What is the SMILES notation for (2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide?
The canonical SMILES for (2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide is [2H]C([2H])([2H])c1nc(-c2ccc(NC(=O)[C@@H](O)c3cc(F)cc(C(F)(F)F)c3)cc2C)c2c(N)ncc(C)n12.
What is the InChIKey of (2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide?
The InChIKey is FAEWKZOHCUAMIM-CZHKOJODSA-N. The full InChI is InChI=1S/C24H21F4N5O2/c1-11-6-17(32-23(35)21(34)14-7-15(24(26,27)28)9-16(25)8-14)4-5-18(11)19-20-22(29)30-10-12(2)33(20)13(3)31-19/h4-10,21,34H,1-3H3,(H2,29,30)(H,32,35)/t21-/m0/s1/i3D3.
What are the key properties of (2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide?
(2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide has a molecular weight of 490.48 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide is sourced from PubChem (CID 156646373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).