2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;N-(oxan-4-yl)-5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C94H125N25O12S4 — CID 158662870

About 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;N-(oxan-4-yl)-5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;N-(oxan-4-yl)-5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 158662870) has the molecular formula C94H125N25O12S4 and a molecular weight of 1925.46 g/mol. Its IUPAC name is 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;N-(oxan-4-yl)-5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;N-(oxan-4-yl)-5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• PubChem CID: 158662870
• Molecular Formula: C94H125N25O12S4
• Molecular Weight: 1925.46 g/mol
• Exact Mass: 1923.88
• IUPAC Name: 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;N-(oxan-4-yl)-5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• SMILES: C.C.C.CC(C)c1noc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)n1.O=S1CCc2nc(N3CCC(c4cc(-c5ccco5)n[nH]4)CC3)nc(NC3CCOCC3)c21.O=S1CCc2nc(N3CCC(c4nc(-c5ccccc5)no4)CC3)nc(NC3CCOCC3)c21.O=S1CCc2nc(N3CCC(c4nc(-c5ccncc5)no4)CC3)nc(NC3CCOCC3)c21
• InChI: InChI=1S/C24H28N6O3S.C23H27N7O3S.C23H28N6O3S.C21H30N6O3S.3CH4/c31-34-15-10-19-20(34)22(25-18-8-13-32-14-9-18)28-24(26-19)30-11-6-17(7-12-30)23-27-21(29-33-23)16-4-2-1-3-5-16;31-34-14-7-18-19(34)21(25-17-5-12-32-13-6-17)28-23(26-18)30-10-3-16(4-11-30)22-27-20(29-33-22)15-1-8-24-9-2-15;30-33-13-7-17-21(33)22(24-16-5-11-31-12-6-16)26-23(25-17)29-8-3-15(4-9-29)18-14-19(28-27-18)20-2-1-10-32-20;1-13(2)18-24-20(30-26-18)14-3-8-27(9-4-14)21-23-16-7-12-31(28)17(16)19(25-21)22-15-5-10-29-11-6-15;;;/h1-5,17-18H,6-15H2,(H,25,26,28);1-2,8-9,16-17H,3-7,10-14H2,(H,25,26,28);1-2,10,14-16H,3-9,11-13H2,(H,27,28)(H,24,25,26);13-15H,3-12H2,1-2H3,(H,22,23,25);3*1H4
• InChIKey: ICZBCJFMBCQEBY-UHFFFAOYSA-N
• XLogP: 13.35
• TPSA: 440.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1925.46
LogP ≤ 5	13.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;N-(oxan-4-yl)-5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The IUPAC name of 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;N-(oxan-4-yl)-5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 158662870) is 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;N-(oxan-4-yl)-5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;N-(oxan-4-yl)-5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;N-(oxan-4-yl)-5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is C.C.C.CC(C)c1noc(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)n1.O=S1CCc2nc(N3CCC(c4cc(-c5ccco5)n[nH]4)CC3)nc(NC3CCOCC3)c21.O=S1CCc2nc(N3CCC(c4nc(-c5ccccc5)no4)CC3)nc(NC3CCOCC3)c21.O=S1CCc2nc(N3CCC(c4nc(-c5ccncc5)no4)CC3)nc(NC3CCOCC3)c21.

What is the InChIKey of 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;N-(oxan-4-yl)-5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The InChIKey is ICZBCJFMBCQEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S.C23H27N7O3S.C23H28N6O3S.C21H30N6O3S.3CH4/c31-34-15-10-19-20(34)22(25-18-8-13-32-14-9-18)28-24(26-19)30-11-6-17(7-12-30)23-27-21(29-33-23)16-4-2-1-3-5-16;31-34-14-7-18-19(34)21(25-17-5-12-32-13-6-17)28-23(26-18)30-10-3-16(4-11-30)22-27-20(29-33-22)15-1-8-24-9-2-15;30-33-13-7-17-21(33)22(24-16-5-11-31-12-6-16)26-23(25-17)29-8-3-15(4-9-29)18-14-19(28-27-18)20-2-1-10-32-20;1-13(2)18-24-20(30-26-18)14-3-8-27(9-4-14)21-23-16-7-12-31(28)17(16)19(25-21)22-15-5-10-29-11-6-15;;;/h1-5,17-18H,6-15H2,(H,25,26,28);1-2,8-9,16-17H,3-7,10-14H2,(H,25,26,28);1-2,10,14-16H,3-9,11-13H2,(H,27,28)(H,24,25,26);13-15H,3-12H2,1-2H3,(H,22,23,25);3*1H4.

What are the key properties of 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;N-(oxan-4-yl)-5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;N-(oxan-4-yl)-5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 1925.46 g/mol, XLogP of 13.35, 20 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;N-(oxan-4-yl)-5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 158662870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).