4-[8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C26H26F3N7O2 — CID 71226543

IUPAC4-[8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCCN1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(C)n23)C1
InChIInChI=1S/C26H26F3N7O2/c1-3-35-10-11-38-19(14-35)24-34-21(22-23(30)32-13-15(2)36(22)24)16-4-6-17(7-5-16)25(37)33-20-12-18(8-9-31-20)26(27,28)29/h4-9,12-13,19H,3,10-11,14H2,1-2H3,(H2,30,32)(H,31,33,37)/t19-/m1/s1
InChIKeyMWBLDGJKPGLMAO-LJQANCHMSA-N
MW525.54 g/mol
LogP4.35
Rot. Bonds5

About 4-[8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

4-[8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 71226543) has the molecular formula C26H26F3N7O2 and a molecular weight of 525.54 g/mol. Its IUPAC name is 4-[8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID71226543
Molecular FormulaC26H26F3N7O2
Molecular Weight525.54 g/mol
Exact Mass525.21
IUPAC Name4-[8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCCN1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(C)n23)C1
InChIInChI=1S/C26H26F3N7O2/c1-3-35-10-11-38-19(14-35)24-34-21(22-23(30)32-13-15(2)36(22)24)16-4-6-17(7-5-16)25(37)33-20-12-18(8-9-31-20)26(27,28)29/h4-9,12-13,19H,3,10-11,14H2,1-2H3,(H2,30,32)(H,31,33,37)/t19-/m1/s1
InChIKeyMWBLDGJKPGLMAO-LJQANCHMSA-N
XLogP4.35
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.54
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide with MolForge

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Related Compounds

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4-[8-Azanyl-3-[(3~{r})-1-(3-Methyloxetan-3-Yl)carbonylpiperidin-3-Yl]imidazo[1,5-A]pyrazin-1-Yl]-~{n}-[4-(Trifluoromethyl)pyridin-2-Yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-[8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 71226543) is 4-[8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-[8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is CCN1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncc(C)n23)C1.
What is the InChIKey of 4-[8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is MWBLDGJKPGLMAO-LJQANCHMSA-N. The full InChI is InChI=1S/C26H26F3N7O2/c1-3-35-10-11-38-19(14-35)24-34-21(22-23(30)32-13-15(2)36(22)24)16-4-6-17(7-5-16)25(37)33-20-12-18(8-9-31-20)26(27,28)29/h4-9,12-13,19H,3,10-11,14H2,1-2H3,(H2,30,32)(H,31,33,37)/t19-/m1/s1.
What are the key properties of 4-[8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
4-[8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 525.54 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methylimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 71226543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).