2-[3-[(4-chloro-3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;2-[2-(1-ethoxyethenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C86H105ClN24O9S4 — CID 157415708

About 2-[3-[(4-chloro-3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;2-[2-(1-ethoxyethenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-[3-[(4-chloro-3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;2-[2-(1-ethoxyethenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 157415708) has the molecular formula C86H105ClN24O9S4 and a molecular weight of 1782.67 g/mol. Its IUPAC name is 2-[3-[(4-chloro-3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;2-[2-(1-ethoxyethenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[3-[(4-chloro-3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;2-[2-(1-ethoxyethenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• PubChem CID: 157415708
• Molecular Formula: C86H105ClN24O9S4
• Molecular Weight: 1782.67 g/mol
• Exact Mass: 1780.71
• IUPAC Name: 2-[3-[(4-chloro-3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;2-[2-(1-ethoxyethenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• SMILES: C=C(OCC)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2.Cc1cc(Cc2cnc3n2CCN(c2nc4c(c(NC5CCOCC5)n2)S(=O)CC4)C3)ccc1Cl.Cc1ccc(-c2cnc3n2CCN(c2nc4c(c(NC5CCOCC5)n2)S(=O)CC4)C3)cc1.O=S1CCc2nc(N3CCn4ccnc4C3)nc(NC3(CO)CC3)c21
• InChI: InChI=1S/C25H29ClN6O2S.C24H28N6O2S.C21H28N6O3S.C16H20N6O2S/c1-16-12-17(2-3-20(16)26)13-19-14-27-22-15-31(7-8-32(19)22)25-29-21-6-11-35(33)23(21)24(30-25)28-18-4-9-34-10-5-18;1-16-2-4-17(5-3-16)20-14-25-21-15-29(9-10-30(20)21)24-27-19-8-13-33(31)22(19)23(28-24)26-18-6-11-32-12-7-18;1-3-30-14(2)17-12-26-7-8-27(13-18(26)23-17)21-24-16-6-11-31(28)19(16)20(25-21)22-15-4-9-29-10-5-15;23-10-16(2-3-16)20-14-13-11(1-8-25(13)24)18-15(19-14)22-7-6-21-5-4-17-12(21)9-22/h2-3,12,14,18H,4-11,13,15H2,1H3,(H,28,29,30);2-5,14,18H,6-13,15H2,1H3,(H,26,27,28);12,15H,2-11,13H2,1H3,(H,22,24,25);4-5,23H,1-3,6-10H2,(H,18,19,20)
• InChIKey: BOUYSIBZSQODKH-UHFFFAOYSA-N
• XLogP: 8.67
• TPSA: 360.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 19
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1782.67
LogP ≤ 5	8.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chloro-3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;2-[2-(1-ethoxyethenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The IUPAC name of 2-[3-[(4-chloro-3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;2-[2-(1-ethoxyethenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 157415708) is 2-[3-[(4-chloro-3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;2-[2-(1-ethoxyethenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 2-[3-[(4-chloro-3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;2-[2-(1-ethoxyethenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 2-[3-[(4-chloro-3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;2-[2-(1-ethoxyethenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is C=C(OCC)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2.Cc1cc(Cc2cnc3n2CCN(c2nc4c(c(NC5CCOCC5)n2)S(=O)CC4)C3)ccc1Cl.Cc1ccc(-c2cnc3n2CCN(c2nc4c(c(NC5CCOCC5)n2)S(=O)CC4)C3)cc1.O=S1CCc2nc(N3CCn4ccnc4C3)nc(NC3(CO)CC3)c21.

What is the InChIKey of 2-[3-[(4-chloro-3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;2-[2-(1-ethoxyethenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The InChIKey is BOUYSIBZSQODKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O2S.C24H28N6O2S.C21H28N6O3S.C16H20N6O2S/c1-16-12-17(2-3-20(16)26)13-19-14-27-22-15-31(7-8-32(19)22)25-29-21-6-11-35(33)23(21)24(30-25)28-18-4-9-34-10-5-18;1-16-2-4-17(5-3-16)20-14-25-21-15-29(9-10-30(20)21)24-27-19-8-13-33(31)22(19)23(28-24)26-18-6-11-32-12-7-18;1-3-30-14(2)17-12-26-7-8-27(13-18(26)23-17)21-24-16-6-11-31(28)19(16)20(25-21)22-15-4-9-29-10-5-15;23-10-16(2-3-16)20-14-13-11(1-8-25(13)24)18-15(19-14)22-7-6-21-5-4-17-12(21)9-22/h2-3,12,14,18H,4-11,13,15H2,1H3,(H,28,29,30);2-5,14,18H,6-13,15H2,1H3,(H,26,27,28);12,15H,2-11,13H2,1H3,(H,22,24,25);4-5,23H,1-3,6-10H2,(H,18,19,20).

What are the key properties of 2-[3-[(4-chloro-3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;2-[2-(1-ethoxyethenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

2-[3-[(4-chloro-3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;2-[2-(1-ethoxyethenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 1782.67 g/mol, XLogP of 8.67, 19 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-chloro-3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;2-[2-(1-ethoxyethenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[3-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 157415708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).