1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,8-dimethylimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methyl 3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazine-8-carboxylate;methyl 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazine-8-carboxylate

C116H108F4N16O16 — CID 159625070

About 1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,8-dimethylimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methyl 3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazine-8-carboxylate;methyl 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazine-8-carboxylate

1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,8-dimethylimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methyl 3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazine-8-carboxylate;methyl 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazine-8-carboxylate (PubChem CID 159625070) has the molecular formula C116H108F4N16O16 and a molecular weight of 2058.23 g/mol. Its IUPAC name is 1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,8-dimethylimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methyl 3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazine-8-carboxylate;methyl 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazine-8-carboxylate.

Molecular Properties

• Compound Name: 1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,8-dimethylimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methyl 3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazine-8-carboxylate;methyl 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazine-8-carboxylate
• PubChem CID: 159625070
• Molecular Formula: C116H108F4N16O16
• Molecular Weight: 2058.23 g/mol
• Exact Mass: 2056.81
• IUPAC Name: 1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,8-dimethylimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methyl 3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazine-8-carboxylate;methyl 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazine-8-carboxylate
• SMILES: C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(OC)c3F)cc2)c2c(C(=O)OC)nccn12.C=CC(=O)N1CCC[C@@H](c2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(C)n23)C1.CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(OC)c3F)cc2)c2c(C(=O)OC)nccn12.CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Oc3cccc(OC)c3F)cc2)c2c(C)ncc(C)n12
• InChI: InChI=1S/C30H27FN4O5.C29H27FN4O5.C29H27FN4O3.C28H27FN4O3/c1-4-8-24(36)34-17-6-5-9-21(34)29-33-26(28-27(30(37)39-3)32-16-18-35(28)29)19-12-14-20(15-13-19)40-23-11-7-10-22(38-2)25(23)31;1-4-23(35)33-16-6-5-8-20(33)28-32-25(27-26(29(36)38-3)31-15-17-34(27)28)18-11-13-19(14-12-18)39-22-10-7-9-21(37-2)24(22)30;1-5-8-25(35)33-16-7-9-22(33)29-32-27(28-19(3)31-17-18(2)34(28)29)20-12-14-21(15-13-20)37-24-11-6-10-23(36-4)26(24)30;1-4-25(34)32-14-6-7-20(17-32)28-31-27(22-16-30-15-18(2)33(22)28)19-10-12-21(13-11-19)36-24-9-5-8-23(35-3)26(24)29/h7,10-16,18,21H,5-6,9,17H2,1-3H3;4,7,9-15,17,20H,1,5-6,8,16H2,2-3H3;6,10-15,17,22H,7,9,16H2,1-4H3;4-5,8-13,15-16,20H,1,6-7,14,17H2,2-3H3/t21-;20-;22-;20-/m0001/s1
• InChIKey: MOJPERHNVXCXOI-VOXFBUTNSA-N
• XLogP: 21.74
• TPSA: 328.44 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2058.23
LogP ≤ 5	21.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,8-dimethylimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methyl 3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazine-8-carboxylate;methyl 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazine-8-carboxylate?

The IUPAC name of 1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,8-dimethylimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methyl 3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazine-8-carboxylate;methyl 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazine-8-carboxylate (CID 159625070) is 1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,8-dimethylimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methyl 3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazine-8-carboxylate;methyl 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazine-8-carboxylate.

What is the SMILES notation for 1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,8-dimethylimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methyl 3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazine-8-carboxylate;methyl 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazine-8-carboxylate?

The canonical SMILES for 1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,8-dimethylimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methyl 3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazine-8-carboxylate;methyl 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazine-8-carboxylate is C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(OC)c3F)cc2)c2c(C(=O)OC)nccn12.C=CC(=O)N1CCC[C@@H](c2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(C)n23)C1.CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Oc3cccc(OC)c3F)cc2)c2c(C(=O)OC)nccn12.CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Oc3cccc(OC)c3F)cc2)c2c(C)ncc(C)n12.

What is the InChIKey of 1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,8-dimethylimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methyl 3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazine-8-carboxylate;methyl 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazine-8-carboxylate?

The InChIKey is MOJPERHNVXCXOI-VOXFBUTNSA-N. The full InChI is InChI=1S/C30H27FN4O5.C29H27FN4O5.C29H27FN4O3.C28H27FN4O3/c1-4-8-24(36)34-17-6-5-9-21(34)29-33-26(28-27(30(37)39-3)32-16-18-35(28)29)19-12-14-20(15-13-19)40-23-11-7-10-22(38-2)25(23)31;1-4-23(35)33-16-6-5-8-20(33)28-32-25(27-26(29(36)38-3)31-15-17-34(27)28)18-11-13-19(14-12-18)39-22-10-7-9-21(37-2)24(22)30;1-5-8-25(35)33-16-7-9-22(33)29-32-27(28-19(3)31-17-18(2)34(28)29)20-12-14-21(15-13-20)37-24-11-6-10-23(36-4)26(24)30;1-4-25(34)32-14-6-7-20(17-32)28-31-27(22-16-30-15-18(2)33(22)28)19-10-12-21(13-11-19)36-24-9-5-8-23(35-3)26(24)29/h7,10-16,18,21H,5-6,9,17H2,1-3H3;4,7,9-15,17,20H,1,5-6,8,16H2,2-3H3;6,10-15,17,22H,7,9,16H2,1-4H3;4-5,8-13,15-16,20H,1,6-7,14,17H2,2-3H3/t21-;20-;22-;20-/m0001/s1.

What are the key properties of 1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,8-dimethylimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methyl 3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazine-8-carboxylate;methyl 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazine-8-carboxylate?

1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,8-dimethylimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methyl 3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazine-8-carboxylate;methyl 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazine-8-carboxylate has a molecular weight of 2058.23 g/mol, XLogP of 21.74, 24 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,8-dimethylimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;methyl 3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazine-8-carboxylate;methyl 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazine-8-carboxylate is sourced from PubChem (CID 159625070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).