(2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol

C85H102ClF2N25O9S4 — CID 159100423

About (2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol

(2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol (PubChem CID 159100423) has the molecular formula C85H102ClF2N25O9S4 and a molecular weight of 1819.63 g/mol. Its IUPAC name is (2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

• Compound Name: (2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
• PubChem CID: 159100423
• Molecular Formula: C85H102ClF2N25O9S4
• Molecular Weight: 1819.63 g/mol
• Exact Mass: 1817.68
• IUPAC Name: (2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
• SMILES: CC(C)[C@H](CO)Nc1nc(N2CCn3c(-c4ccc(F)cc4)cnc3C2)nc2c1S(=O)CC2.CCOC(=O)c1cn2c(n1)CN(c1nc3c(c(N[C@@H](CO)C(C)C)n1)S(=O)CC3)CC2.Cc1ccc(Cc2nnc3n2CCN(c2nc4c(c(N[C@@H](CO)C(C)C)n2)S(=O)CC4)C3)cc1Cl.O=S1CCc2nc(N3CCn4ccnc4C3)nc(Nc3cccc(F)c3)c21
• InChI: InChI=1S/C24H30ClN7O2S.C23H27FN6O2S.C20H28N6O4S.C18H17FN6OS/c1-14(2)19(13-33)26-23-22-18(6-9-35(22)34)27-24(28-23)31-7-8-32-20(29-30-21(32)12-31)11-16-5-4-15(3)17(25)10-16;1-14(2)18(13-31)26-22-21-17(7-10-33(21)32)27-23(28-22)29-8-9-30-19(11-25-20(30)12-29)15-3-5-16(24)6-4-15;1-4-30-19(28)14-9-25-6-7-26(10-16(25)21-14)20-23-13-5-8-31(29)17(13)18(24-20)22-15(11-27)12(2)3;19-12-2-1-3-13(10-12)21-17-16-14(4-9-27(16)26)22-18(23-17)25-8-7-24-6-5-20-15(24)11-25/h4-5,10,14,19,33H,6-9,11-13H2,1-3H3,(H,26,27,28);3-6,11,14,18,31H,7-10,12-13H2,1-2H3,(H,26,27,28);9,12,15,27H,4-8,10-11H2,1-3H3,(H,22,23,24);1-3,5-6,10H,4,7-9,11H2,(H,21,22,23)/t19-,35?;18-,33?;15-,31?;/m000./s1
• InChIKey: KDFBIGSLGSGAAV-YCLSEYCRSA-N
• XLogP: 8.53
• TPSA: 403.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1819.63
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?

The IUPAC name of (2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol (CID 159100423) is (2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol.

What is the SMILES notation for (2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?

The canonical SMILES for (2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol is CC(C)[C@H](CO)Nc1nc(N2CCn3c(-c4ccc(F)cc4)cnc3C2)nc2c1S(=O)CC2.CCOC(=O)c1cn2c(n1)CN(c1nc3c(c(N[C@@H](CO)C(C)C)n1)S(=O)CC3)CC2.Cc1ccc(Cc2nnc3n2CCN(c2nc4c(c(N[C@@H](CO)C(C)C)n2)S(=O)CC4)C3)cc1Cl.O=S1CCc2nc(N3CCn4ccnc4C3)nc(Nc3cccc(F)c3)c21.

What is the InChIKey of (2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?

The InChIKey is KDFBIGSLGSGAAV-YCLSEYCRSA-N. The full InChI is InChI=1S/C24H30ClN7O2S.C23H27FN6O2S.C20H28N6O4S.C18H17FN6OS/c1-14(2)19(13-33)26-23-22-18(6-9-35(22)34)27-24(28-23)31-7-8-32-20(29-30-21(32)12-31)11-16-5-4-15(3)17(25)10-16;1-14(2)18(13-31)26-22-21-17(7-10-33(21)32)27-23(28-22)29-8-9-30-19(11-25-20(30)12-29)15-3-5-16(24)6-4-15;1-4-30-19(28)14-9-25-6-7-26(10-16(25)21-14)20-23-13-5-8-31(29)17(13)18(24-20)22-15(11-27)12(2)3;19-12-2-1-3-13(10-12)21-17-16-14(4-9-27(16)26)22-18(23-17)25-8-7-24-6-5-20-15(24)11-25/h4-5,10,14,19,33H,6-9,11-13H2,1-3H3,(H,26,27,28);3-6,11,14,18,31H,7-10,12-13H2,1-2H3,(H,26,27,28);9,12,15,27H,4-8,10-11H2,1-3H3,(H,22,23,24);1-3,5-6,10H,4,7-9,11H2,(H,21,22,23)/t19-,35?;18-,33?;15-,31?;/m000./s1.

What are the key properties of (2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?

(2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol has a molecular weight of 1819.63 g/mol, XLogP of 8.53, 23 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[2-[3-[(3-chloro-4-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 159100423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).