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-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide

C27H27F3N8O2 — CID 90283171

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-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide
SMILESCCn1nc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)cc2)cc1C(F)(F)F
InChIInChI=1S/C27H27F3N8O2/c1-2-38-19(27(28,29)30)13-20(35-38)33-26(40)16-5-3-15(4-6-16)22-23-24(31)32-11-12-36(23)25(34-22)17-7-8-18-9-10-21(39)37(18)14-17/h3-6,11-13,17-18H,2,7-10,14H2,1H3,(H2,31,32)(H,33,35,40)/t17-,18+/m1/s1
InChIKeyHZNVVUUFSCFYNF-MSOLQXFVSA-N
MW552.56 g/mol
LogP4.33
Rot. Bonds5

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-[1-ethyl-5-(trifluoromethyl)pyrazol-3-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-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide (PubChem CID 90283171) has the molecular formula C27H27F3N8O2 and a molecular weight of 552.56 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-[1-ethyl-5-(trifluoromethyl)pyrazol-3-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-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide
PubChem CID90283171
Molecular FormulaC27H27F3N8O2
Molecular Weight552.56 g/mol
Exact Mass552.22
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-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide
SMILESCCn1nc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)cc2)cc1C(F)(F)F
InChIInChI=1S/C27H27F3N8O2/c1-2-38-19(27(28,29)30)13-20(35-38)33-26(40)16-5-3-15(4-6-16)22-23-24(31)32-11-12-36(23)25(34-22)17-7-8-18-9-10-21(39)37(18)14-17/h3-6,11-13,17-18H,2,7-10,14H2,1H3,(H2,31,32)(H,33,35,40)/t17-,18+/m1/s1
InChIKeyHZNVVUUFSCFYNF-MSOLQXFVSA-N
XLogP4.33
TPSA123.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.56
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide with MolForge

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

Launch Full Analysis

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-[1-ethyl-5-(trifluoromethyl)pyrazol-3-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-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide (CID 90283171) 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-[1-ethyl-5-(trifluoromethyl)pyrazol-3-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-[1-ethyl-5-(trifluoromethyl)pyrazol-3-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-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide is CCn1nc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)cc2)cc1C(F)(F)F.
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-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide?
The InChIKey is HZNVVUUFSCFYNF-MSOLQXFVSA-N. The full InChI is InChI=1S/C27H27F3N8O2/c1-2-38-19(27(28,29)30)13-20(35-38)33-26(40)16-5-3-15(4-6-16)22-23-24(31)32-11-12-36(23)25(34-22)17-7-8-18-9-10-21(39)37(18)14-17/h3-6,11-13,17-18H,2,7-10,14H2,1H3,(H2,31,32)(H,33,35,40)/t17-,18+/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-[1-ethyl-5-(trifluoromethyl)pyrazol-3-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-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide has a molecular weight of 552.56 g/mol, XLogP of 4.33, 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-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 90283171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).