5-[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]-6-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide

C27H25F3N8O3 — CID 121456302

About 5-[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]-6-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide

5-[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]-6-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 121456302) has the molecular formula C27H25F3N8O3 and a molecular weight of 566.54 g/mol. Its IUPAC name is 5-[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]-6-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[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]-6-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
• PubChem CID: 121456302
• Molecular Formula: C27H25F3N8O3
• Molecular Weight: 566.54 g/mol
• Exact Mass: 566.20
• IUPAC Name: 5-[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]-6-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
• SMILES: COc1nc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12
• InChI: InChI=1S/C27H25F3N8O3/c1-41-26-17(5-6-18(34-26)25(40)35-19-12-15(8-9-32-19)27(28,29)30)21-22-23(31)33-10-11-37(22)24(36-21)14-2-3-16-4-7-20(39)38(16)13-14/h5-6,8-12,14,16H,2-4,7,13H2,1H3,(H2,31,33)(H,32,35,40)/t14-,16+/m1/s1
• InChIKey: MRAVKPPEIKSHFU-ZBFHGGJFSA-N
• XLogP: 3.92
• TPSA: 140.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.54
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[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]-6-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?

The IUPAC name of 5-[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]-6-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide (CID 121456302) is 5-[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]-6-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[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]-6-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[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]-6-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide is COc1nc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12.

What is the InChIKey of 5-[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]-6-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?

The InChIKey is MRAVKPPEIKSHFU-ZBFHGGJFSA-N. The full InChI is InChI=1S/C27H25F3N8O3/c1-41-26-17(5-6-18(34-26)25(40)35-19-12-15(8-9-32-19)27(28,29)30)21-22-23(31)33-10-11-37(22)24(36-21)14-2-3-16-4-7-20(39)38(16)13-14/h5-6,8-12,14,16H,2-4,7,13H2,1H3,(H2,31,33)(H,32,35,40)/t14-,16+/m1/s1.

What are the key properties of 5-[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]-6-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?

5-[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]-6-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 566.54 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[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]-6-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 121456302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).