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

C23H24N6O2S — CID 71487843

IUPAC4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide
SMILESCCc1cnc(NC(=O)c2ccc(-c3nc(C4CCOCC4)n4ccnc(N)c34)cc2)s1
InChIInChI=1S/C23H24N6O2S/c1-2-17-13-26-23(32-17)28-22(30)16-5-3-14(4-6-16)18-19-20(24)25-9-10-29(19)21(27-18)15-7-11-31-12-8-15/h3-6,9-10,13,15H,2,7-8,11-12H2,1H3,(H2,24,25)(H,26,28,30)
InChIKeyYGUNMVVWZMFSSN-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.14
Rot. Bonds5

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

4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide (PubChem CID 71487843) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is 4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide
PubChem CID71487843
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide
SMILESCCc1cnc(NC(=O)c2ccc(-c3nc(C4CCOCC4)n4ccnc(N)c34)cc2)s1
InChIInChI=1S/C23H24N6O2S/c1-2-17-13-26-23(32-17)28-22(30)16-5-3-14(4-6-16)18-19-20(24)25-9-10-29(19)21(27-18)15-7-11-31-12-8-15/h3-6,9-10,13,15H,2,7-8,11-12H2,1H3,(H2,24,25)(H,26,28,30)
InChIKeyYGUNMVVWZMFSSN-UHFFFAOYSA-N
XLogP4.14
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-(5-ethyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide (CID 71487843) is 4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide is CCc1cnc(NC(=O)c2ccc(-c3nc(C4CCOCC4)n4ccnc(N)c34)cc2)s1.
What is the InChIKey of 4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is YGUNMVVWZMFSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-2-17-13-26-23(32-17)28-22(30)16-5-3-14(4-6-16)18-19-20(24)25-9-10-29(19)21(27-18)15-7-11-31-12-8-15/h3-6,9-10,13,15H,2,7-8,11-12H2,1H3,(H2,24,25)(H,26,28,30).
What are the key properties of 4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide?
4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 448.55 g/mol, XLogP of 4.14, 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-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 71487843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).