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

C26H25F3N6O2 — CID 71223444

IUPAC4-[8-amino-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC1(C)CC(c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CCO1
InChIInChI=1S/C26H25F3N6O2/c1-25(2)14-17(8-12-37-25)23-34-20(21-22(30)32-10-11-35(21)23)15-3-5-16(6-4-15)24(36)33-19-13-18(7-9-31-19)26(27,28)29/h3-7,9-11,13,17H,8,12,14H2,1-2H3,(H2,30,32)(H,31,33,36)
InChIKeyVNYBGJNVOKUDSO-UHFFFAOYSA-N
MW510.52 g/mol
LogP5.32
Rot. Bonds4

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

4-[8-amino-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 71223444) has the molecular formula C26H25F3N6O2 and a molecular weight of 510.52 g/mol. Its IUPAC name is 4-[8-amino-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[8-amino-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID71223444
Molecular FormulaC26H25F3N6O2
Molecular Weight510.52 g/mol
Exact Mass510.20
IUPAC Name4-[8-amino-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC1(C)CC(c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CCO1
InChIInChI=1S/C26H25F3N6O2/c1-25(2)14-17(8-12-37-25)23-34-20(21-22(30)32-10-11-35(21)23)15-3-5-16(6-4-15)24(36)33-19-13-18(7-9-31-19)26(27,28)29/h3-7,9-11,13,17H,8,12,14H2,1-2H3,(H2,30,32)(H,31,33,36)
InChIKeyVNYBGJNVOKUDSO-UHFFFAOYSA-N
XLogP5.32
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.52
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-[8-amino-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 71223444) is 4-[8-amino-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[8-amino-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-[8-amino-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is CC1(C)CC(c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)CCO1.
What is the InChIKey of 4-[8-amino-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is VNYBGJNVOKUDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O2/c1-25(2)14-17(8-12-37-25)23-34-20(21-22(30)32-10-11-35(21)23)15-3-5-16(6-4-15)24(36)33-19-13-18(7-9-31-19)26(27,28)29/h3-7,9-11,13,17H,8,12,14H2,1-2H3,(H2,30,32)(H,31,33,36).
What are the key properties of 4-[8-amino-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
4-[8-amino-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 510.52 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 71223444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).