1-[(2S)-2-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;sulfane

C100H106N26O4S4 — CID 159369656

About 1-[(2S)-2-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;sulfane

1-[(2S)-2-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;sulfane (PubChem CID 159369656) has the molecular formula C100H106N26O4S4 and a molecular weight of 1864.39 g/mol. Its IUPAC name is 1-[(2S)-2-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;sulfane.

Molecular Properties

• Compound Name: 1-[(2S)-2-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;sulfane
• PubChem CID: 159369656
• Molecular Formula: C100H106N26O4S4
• Molecular Weight: 1864.39 g/mol
• Exact Mass: 1862.78
• IUPAC Name: 1-[(2S)-2-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;sulfane
• SMILES: C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Nc3ccccc3)c(C)c2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Nc3ccccc3)cc2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Nc3ccccn3)c(C)c2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Nc3ccccn3)cc2)c2c(N)nccn12.S.S.S.S
• InChI: InChI=1S/C26H26N6O.C25H25N7O.C25H24N6O.C24H23N7O.4H2S/c1-3-22(33)31-14-7-10-21(31)26-30-23(24-25(27)28-13-15-32(24)26)18-11-12-20(17(2)16-18)29-19-8-5-4-6-9-19;1-3-21(33)31-13-6-7-19(31)25-30-22(23-24(26)28-12-14-32(23)25)17-9-10-18(16(2)15-17)29-20-8-4-5-11-27-20;1-2-21(32)30-15-6-9-20(30)25-29-22(23-24(26)27-14-16-31(23)25)17-10-12-19(13-11-17)28-18-7-4-3-5-8-18;1-2-20(32)30-14-5-6-18(30)24-29-21(22-23(25)27-13-15-31(22)24)16-8-10-17(11-9-16)28-19-7-3-4-12-26-19;;;;/h3-6,8-9,11-13,15-16,21,29H,1,7,10,14H2,2H3,(H2,27,28);3-5,8-12,14-15,19H,1,6-7,13H2,2H3,(H2,26,28)(H,27,29);2-5,7-8,10-14,16,20,28H,1,6,9,15H2,(H2,26,27);2-4,7-13,15,18H,1,5-6,14H2,(H2,25,27)(H,26,28);4*1H2/t21-;19-;20-;18-;;;;/m0000..../s1
• InChIKey: LJOSRTIIEXGTJA-QCPAOSKHSA-N
• XLogP: 18.14
• TPSA: 379.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1864.39
LogP ≤ 5	18.14
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;sulfane?

The IUPAC name of 1-[(2S)-2-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;sulfane (CID 159369656) is 1-[(2S)-2-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;sulfane.

What is the SMILES notation for 1-[(2S)-2-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;sulfane?

The canonical SMILES for 1-[(2S)-2-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;sulfane is C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Nc3ccccc3)c(C)c2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Nc3ccccc3)cc2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Nc3ccccn3)c(C)c2)c2c(N)nccn12.C=CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Nc3ccccn3)cc2)c2c(N)nccn12.S.S.S.S.

What is the InChIKey of 1-[(2S)-2-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;sulfane?

The InChIKey is LJOSRTIIEXGTJA-QCPAOSKHSA-N. The full InChI is InChI=1S/C26H26N6O.C25H25N7O.C25H24N6O.C24H23N7O.4H2S/c1-3-22(33)31-14-7-10-21(31)26-30-23(24-25(27)28-13-15-32(24)26)18-11-12-20(17(2)16-18)29-19-8-5-4-6-9-19;1-3-21(33)31-13-6-7-19(31)25-30-22(23-24(26)28-12-14-32(23)25)17-9-10-18(16(2)15-17)29-20-8-4-5-11-27-20;1-2-21(32)30-15-6-9-20(30)25-29-22(23-24(26)27-14-16-31(23)25)17-10-12-19(13-11-17)28-18-7-4-3-5-8-18;1-2-20(32)30-14-5-6-18(30)24-29-21(22-23(25)27-13-15-31(22)24)16-8-10-17(11-9-16)28-19-7-3-4-12-26-19;;;;/h3-6,8-9,11-13,15-16,21,29H,1,7,10,14H2,2H3,(H2,27,28);3-5,8-12,14-15,19H,1,6-7,13H2,2H3,(H2,26,28)(H,27,29);2-5,7-8,10-14,16,20,28H,1,6,9,15H2,(H2,26,27);2-4,7-13,15,18H,1,5-6,14H2,(H2,25,27)(H,26,28);4*1H2/t21-;19-;20-;18-;;;;/m0000..../s1.

What are the key properties of 1-[(2S)-2-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;sulfane?

1-[(2S)-2-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;sulfane has a molecular weight of 1864.39 g/mol, XLogP of 18.14, 20 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;sulfane is sourced from PubChem (CID 159369656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).