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-pyridin-2-ylbenzamide

C46H46N12O4S — CID 160908967

IUPAC4-[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-pyridin-2-ylbenzamide
SMILESCCc1cnc(NC(=O)c2ccc(-c3nc(C4CCOCC4)n4ccnc(N)c34)cc2)s1.Nc1nccn2c(C3CCOCC3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12
InChIInChI=1S/C23H24N6O2S.C23H22N6O2/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;24-21-20-19(28-22(29(20)12-11-26-21)16-8-13-31-14-9-16)15-4-6-17(7-5-15)23(30)27-18-3-1-2-10-25-18/h3-6,9-10,13,15H,2,7-8,11-12H2,1H3,(H2,24,25)(H,26,28,30);1-7,10-12,16H,8-9,13-14H2,(H2,24,26)(H,25,27,30)
InChIKeySQNDOMRKMLIGFS-UHFFFAOYSA-N
MW863.02 g/mol
LogP7.66
Rot. Bonds9

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-pyridin-2-ylbenzamide

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-pyridin-2-ylbenzamide (PubChem CID 160908967) has the molecular formula C46H46N12O4S and a molecular weight of 863.02 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;4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.

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;4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
PubChem CID160908967
Molecular FormulaC46H46N12O4S
Molecular Weight863.02 g/mol
Exact Mass862.35
IUPAC Name4-[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-pyridin-2-ylbenzamide
SMILESCCc1cnc(NC(=O)c2ccc(-c3nc(C4CCOCC4)n4ccnc(N)c34)cc2)s1.Nc1nccn2c(C3CCOCC3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12
InChIInChI=1S/C23H24N6O2S.C23H22N6O2/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;24-21-20-19(28-22(29(20)12-11-26-21)16-8-13-31-14-9-16)15-4-6-17(7-5-15)23(30)27-18-3-1-2-10-25-18/h3-6,9-10,13,15H,2,7-8,11-12H2,1H3,(H2,24,25)(H,26,28,30);1-7,10-12,16H,8-9,13-14H2,(H2,24,26)(H,25,27,30)
InChIKeySQNDOMRKMLIGFS-UHFFFAOYSA-N
XLogP7.66
TPSA214.86 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500863.02
LogP ≤ 57.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 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-pyridin-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 90283136
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 90283148
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyano-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 162651029
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(1,3-thiazol-2-yl)benzamide
CID 162666021
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
CID 76900494
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzamide
CID 76903333
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)benzamide
CID 76903334
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 77105443
US9718828, Example, 350
CID 71226558
4-(8-amino-3-(tetrahydro-2H-pyran-4-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide
CID 71487843
US9718828, Example, 4
CID 71488573
US9718828, Example, 18
CID 71488630

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;4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?
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;4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (CID 160908967) is 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-pyridin-2-ylbenzamide.
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;4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?
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;4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is CCc1cnc(NC(=O)c2ccc(-c3nc(C4CCOCC4)n4ccnc(N)c34)cc2)s1.Nc1nccn2c(C3CCOCC3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12.
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;4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?
The InChIKey is SQNDOMRKMLIGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S.C23H22N6O2/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;24-21-20-19(28-22(29(20)12-11-26-21)16-8-13-31-14-9-16)15-4-6-17(7-5-15)23(30)27-18-3-1-2-10-25-18/h3-6,9-10,13,15H,2,7-8,11-12H2,1H3,(H2,24,25)(H,26,28,30);1-7,10-12,16H,8-9,13-14H2,(H2,24,26)(H,25,27,30).
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-pyridin-2-ylbenzamide?
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-pyridin-2-ylbenzamide has a molecular weight of 863.02 g/mol, XLogP of 7.66, 9 rotatable bonds, 4 hydrogen bond donors, and 15 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;4-[8-amino-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 160908967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).