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

C24H24N8O2S — CID 76900494

IUPAC4-[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
SMILESCc1nsc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)cc2)n1
InChIInChI=1S/C24H24N8O2S/c1-13-27-24(35-30-13)29-23(34)15-4-2-14(3-5-15)19-20-21(25)26-10-11-31(20)22(28-19)16-6-7-17-8-9-18(33)32(17)12-16/h2-5,10-11,16-17H,6-9,12H2,1H3,(H2,25,26)(H,27,29,30,34)/t16-,17+/m1/s1
InChIKeyRBGSEXZXEIUEEB-SJORKVTESA-N
MW488.58 g/mol
LogP3.26
Rot. Bonds4

About 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

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 (PubChem CID 76900494) has the molecular formula C24H24N8O2S and a molecular weight of 488.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID76900494
Molecular FormulaC24H24N8O2S
Molecular Weight488.58 g/mol
Exact Mass488.17
IUPAC Name4-[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
SMILESCc1nsc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)cc2)n1
InChIInChI=1S/C24H24N8O2S/c1-13-27-24(35-30-13)29-23(34)15-4-2-14(3-5-15)19-20-21(25)26-10-11-31(20)22(28-19)16-6-7-17-8-9-18(33)32(17)12-16/h2-5,10-11,16-17H,6-9,12H2,1H3,(H2,25,26)(H,27,29,30,34)/t16-,17+/m1/s1
InChIKeyRBGSEXZXEIUEEB-SJORKVTESA-N
XLogP3.26
TPSA131.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.58
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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4-(8-amino-3-((6R,8aS)-octahydroindolizin-6-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
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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-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
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4-[3-[(6R,8aS)-1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[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-[(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nsc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)cc2)n1.
What is the InChIKey of 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?
The InChIKey is RBGSEXZXEIUEEB-SJORKVTESA-N. The full InChI is InChI=1S/C24H24N8O2S/c1-13-27-24(35-30-13)29-23(34)15-4-2-14(3-5-15)19-20-21(25)26-10-11-31(20)22(28-19)16-6-7-17-8-9-18(33)32(17)12-16/h2-5,10-11,16-17H,6-9,12H2,1H3,(H2,25,26)(H,27,29,30,34)/t16-,17+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 488.58 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 76900494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).