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

C24H21F3N6O2 — CID 71223219

IUPAC4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNc1nccn2c(C3CCOCC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
InChIInChI=1S/C24H21F3N6O2/c25-24(26,27)17-5-8-29-18(13-17)31-23(34)16-3-1-14(2-4-16)19-20-21(28)30-9-10-33(20)22(32-19)15-6-11-35-12-7-15/h1-5,8-10,13,15H,6-7,11-12H2,(H2,28,30)(H,29,31,34)
InChIKeyRWDZGVZFIZGWEY-UHFFFAOYSA-N
MW482.47 g/mol
LogP4.54
Rot. Bonds4

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

4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 71223219) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is 4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID71223219
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC Name4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNc1nccn2c(C3CCOCC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12
InChIInChI=1S/C24H21F3N6O2/c25-24(26,27)17-5-8-29-18(13-17)31-23(34)16-3-1-14(2-4-16)19-20-21(28)30-9-10-33(20)22(32-19)15-6-11-35-12-7-15/h1-5,8-10,13,15H,6-7,11-12H2,(H2,28,30)(H,29,31,34)
InChIKeyRWDZGVZFIZGWEY-UHFFFAOYSA-N
XLogP4.54
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 54.54
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-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 71223219) is 4-[8-amino-3-(oxan-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-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is Nc1nccn2c(C3CCOCC3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12.
What is the InChIKey of 4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is RWDZGVZFIZGWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c25-24(26,27)17-5-8-29-18(13-17)31-23(34)16-3-1-14(2-4-16)19-20-21(28)30-9-10-33(20)22(32-19)15-6-11-35-12-7-15/h1-5,8-10,13,15H,6-7,11-12H2,(H2,28,30)(H,29,31,34).
What are the key properties of 4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 482.47 g/mol, XLogP of 4.54, 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-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 71223219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).