(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-piperidin-1-ylbut-2-en-1-one;3-[(2S)-1-ethenylsulfonylpyrrolidin-2-yl]-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

C114H122N22O10S — CID 159925336

About (E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-piperidin-1-ylbut-2-en-1-one;3-[(2S)-1-ethenylsulfonylpyrrolidin-2-yl]-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine

(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-piperidin-1-ylbut-2-en-1-one;3-[(2S)-1-ethenylsulfonylpyrrolidin-2-yl]-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 159925336) has the molecular formula C114H122N22O10S and a molecular weight of 1992.44 g/mol. Its IUPAC name is (E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-piperidin-1-ylbut-2-en-1-one;3-[(2S)-1-ethenylsulfonylpyrrolidin-2-yl]-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: (E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-piperidin-1-ylbut-2-en-1-one;3-[(2S)-1-ethenylsulfonylpyrrolidin-2-yl]-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 159925336
• Molecular Formula: C114H122N22O10S
• Molecular Weight: 1992.44 g/mol
• Exact Mass: 1990.94
• IUPAC Name: (E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-piperidin-1-ylbut-2-en-1-one;3-[(2S)-1-ethenylsulfonylpyrrolidin-2-yl]-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
• SMILES: C=CS(=O)(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccccc3)cc2)c2c(N)nccn12.CN(C)C/C=C/C(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccccc3)cc2)c2c(N)nccn12.COC/C=C/C(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccccc3)cc2)c2c(N)nccn12.Nc1nccn2c([C@@H]3CCCN3C(=O)/C=C/CN3CCCCC3)nc(-c3ccc(OCc4ccccc4)cc3)c12
• InChI: InChI=1S/C32H36N6O2.C29H32N6O2.C28H29N5O3.C25H25N5O3S/c33-31-30-29(25-13-15-26(16-14-25)40-23-24-9-3-1-4-10-24)35-32(38(30)22-17-34-31)27-11-7-21-37(27)28(39)12-8-20-36-18-5-2-6-19-36;1-33(2)17-7-11-25(36)34-18-6-10-24(34)29-32-26(27-28(30)31-16-19-35(27)29)22-12-14-23(15-13-22)37-20-21-8-4-3-5-9-21;1-35-18-6-10-24(34)32-16-5-9-23(32)28-31-25(26-27(29)30-15-17-33(26)28)21-11-13-22(14-12-21)36-19-20-7-3-2-4-8-20;1-2-34(31,32)30-15-6-9-21(30)25-28-22(23-24(26)27-14-16-29(23)25)19-10-12-20(13-11-19)33-17-18-7-4-3-5-8-18/h1,3-4,8-10,12-17,22,27H,2,5-7,11,18-21,23H2,(H2,33,34);3-5,7-9,11-16,19,24H,6,10,17-18,20H2,1-2H3,(H2,30,31);2-4,6-8,10-15,17,23H,5,9,16,18-19H2,1H3,(H2,29,30);2-5,7-8,10-14,16,21H,1,6,9,15,17H2,(H2,26,27)/b12-8+;11-7+;10-6+;/t27-;24-;23-;21-/m0000/s1
• InChIKey: NYYCZRAZSXKKOM-NSZLRJFVSA-N
• XLogP: 18.19
• TPSA: 375.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1992.44
LogP ≤ 5	18.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-piperidin-1-ylbut-2-en-1-one;3-[(2S)-1-ethenylsulfonylpyrrolidin-2-yl]-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of (E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-piperidin-1-ylbut-2-en-1-one;3-[(2S)-1-ethenylsulfonylpyrrolidin-2-yl]-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine (CID 159925336) is (E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-piperidin-1-ylbut-2-en-1-one;3-[(2S)-1-ethenylsulfonylpyrrolidin-2-yl]-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for (E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-piperidin-1-ylbut-2-en-1-one;3-[(2S)-1-ethenylsulfonylpyrrolidin-2-yl]-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for (E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-piperidin-1-ylbut-2-en-1-one;3-[(2S)-1-ethenylsulfonylpyrrolidin-2-yl]-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is C=CS(=O)(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccccc3)cc2)c2c(N)nccn12.CN(C)C/C=C/C(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccccc3)cc2)c2c(N)nccn12.COC/C=C/C(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccccc3)cc2)c2c(N)nccn12.Nc1nccn2c([C@@H]3CCCN3C(=O)/C=C/CN3CCCCC3)nc(-c3ccc(OCc4ccccc4)cc3)c12.

What is the InChIKey of (E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-piperidin-1-ylbut-2-en-1-one;3-[(2S)-1-ethenylsulfonylpyrrolidin-2-yl]-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?

The InChIKey is NYYCZRAZSXKKOM-NSZLRJFVSA-N. The full InChI is InChI=1S/C32H36N6O2.C29H32N6O2.C28H29N5O3.C25H25N5O3S/c33-31-30-29(25-13-15-26(16-14-25)40-23-24-9-3-1-4-10-24)35-32(38(30)22-17-34-31)27-11-7-21-37(27)28(39)12-8-20-36-18-5-2-6-19-36;1-33(2)17-7-11-25(36)34-18-6-10-24(34)29-32-26(27-28(30)31-16-19-35(27)29)22-12-14-23(15-13-22)37-20-21-8-4-3-5-9-21;1-35-18-6-10-24(34)32-16-5-9-23(32)28-31-25(26-27(29)30-15-17-33(26)28)21-11-13-22(14-12-21)36-19-20-7-3-2-4-8-20;1-2-34(31,32)30-15-6-9-21(30)25-28-22(23-24(26)27-14-16-29(23)25)19-10-12-20(13-11-19)33-17-18-7-4-3-5-8-18/h1,3-4,8-10,12-17,22,27H,2,5-7,11,18-21,23H2,(H2,33,34);3-5,7-9,11-16,19,24H,6,10,17-18,20H2,1-2H3,(H2,30,31);2-4,6-8,10-15,17,23H,5,9,16,18-19H2,1H3,(H2,29,30);2-5,7-8,10-14,16,21H,1,6,9,15,17H2,(H2,26,27)/b12-8+;11-7+;10-6+;/t27-;24-;23-;21-/m0000/s1.

What are the key properties of (E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-piperidin-1-ylbut-2-en-1-one;3-[(2S)-1-ethenylsulfonylpyrrolidin-2-yl]-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine?

(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-piperidin-1-ylbut-2-en-1-one;3-[(2S)-1-ethenylsulfonylpyrrolidin-2-yl]-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1992.44 g/mol, XLogP of 18.19, 31 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-methoxybut-2-en-1-one;(E)-1-[(2S)-2-[8-amino-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-piperidin-1-ylbut-2-en-1-one;3-[(2S)-1-ethenylsulfonylpyrrolidin-2-yl]-1-(4-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 159925336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).