About 2-[(4R)-5-(1,3-benzoxazol-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[3-[(4-chloro-3-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]cyclopropyl]methanol;[1-[[2-[2-(1-ethoxyethenyl)-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;[1-[[2-[(5R)-3-(4-methylphenyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;[1-[[2-[3-(4-methylphenyl)-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]cyclopropyl]methanol
2-[(4R)-5-(1,3-benzoxazol-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[3-[(4-chloro-3-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]cyclopropyl]methanol;[1-[[2-[2-(1-ethoxyethenyl)-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;[1-[[2-[(5R)-3-(4-methylphenyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;[1-[[2-[3-(4-methylphenyl)-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]cyclopropyl]methanol (PubChem CID 160860923) has the molecular formula C111H132ClN31O12S5
and a molecular weight of 2288.27 g/mol. Its IUPAC name is 2-[(4R)-5-(1,3-benzoxazol-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[3-[(4-chloro-3-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]cyclopropyl]methanol;[1-[[2-[2-(1-ethoxyethenyl)-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;[1-[[2-[(5R)-3-(4-methylphenyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;[1-[[2-[3-(4-methylphenyl)-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]cyclopropyl]methanol.
Frequently Asked Questions
What is the IUPAC name of 2-[(4R)-5-(1,3-benzoxazol-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[3-[(4-chloro-3-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]cyclopropyl]methanol;[1-[[2-[2-(1-ethoxyethenyl)-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;[1-[[2-[(5R)-3-(4-methylphenyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;[1-[[2-[3-(4-methylphenyl)-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]cyclopropyl]methanol?
The IUPAC name of 2-[(4R)-5-(1,3-benzoxazol-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[3-[(4-chloro-3-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]cyclopropyl]methanol;[1-[[2-[2-(1-ethoxyethenyl)-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;[1-[[2-[(5R)-3-(4-methylphenyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;[1-[[2-[3-(4-methylphenyl)-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]cyclopropyl]methanol (CID 160860923) is 2-[(4R)-5-(1,3-benzoxazol-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[3-[(4-chloro-3-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]cyclopropyl]methanol;[1-[[2-[2-(1-ethoxyethenyl)-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;[1-[[2-[(5R)-3-(4-methylphenyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;[1-[[2-[3-(4-methylphenyl)-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]cyclopropyl]methanol.
What is the SMILES notation for 2-[(4R)-5-(1,3-benzoxazol-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[3-[(4-chloro-3-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]cyclopropyl]methanol;[1-[[2-[2-(1-ethoxyethenyl)-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;[1-[[2-[(5R)-3-(4-methylphenyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;[1-[[2-[3-(4-methylphenyl)-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]cyclopropyl]methanol?
The canonical SMILES for 2-[(4R)-5-(1,3-benzoxazol-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[3-[(4-chloro-3-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]cyclopropyl]methanol;[1-[[2-[2-(1-ethoxyethenyl)-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;[1-[[2-[(5R)-3-(4-methylphenyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;[1-[[2-[3-(4-methylphenyl)-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]cyclopropyl]methanol is C=C(OCC)c1cn2c(n1)CN(c1nc3c(c(NC4(CO)CC4)n1)S(=O)CC3)CC2.Cc1cc(Cc2nnc3n2CCN(c2nc4c(c(NC5(CO)CC5)n2)S(=O)CC4)C3)ccc1Cl.Cc1ccc(-c2nnc3n2CCN(c2nc4c(c(NC5(CO)CC5)n2)S(=O)CC4)C3)cc1.Cc1ccc(N2CC3CC[C@H](C2)N3c2nc3c(c(NC4(CO)CC4)n2)S(=O)CC3)cc1.O=S1CCc2nc(N3C[C@H]4CC3CN4c3nc4ccccc4o3)nc(NC3CCOCC3)c21.
What is the InChIKey of 2-[(4R)-5-(1,3-benzoxazol-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[3-[(4-chloro-3-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]cyclopropyl]methanol;[1-[[2-[2-(1-ethoxyethenyl)-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;[1-[[2-[(5R)-3-(4-methylphenyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;[1-[[2-[3-(4-methylphenyl)-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]cyclopropyl]methanol?
The InChIKey is SKLWVDXUWJCVHT-QYMKNNAPSA-N. The full InChI is InChI=1S/C23H26ClN7O2S.C23H26N6O3S.C23H29N5O2S.C22H25N7O2S.C20H26N6O3S/c1-14-10-15(2-3-16(14)24)11-18-28-29-19-12-30(7-8-31(18)19)22-25-17-4-9-34(33)20(17)21(26-22)27-23(13-32)5-6-23;30-33-10-7-18-20(33)21(24-14-5-8-31-9-6-14)27-22(25-18)28-12-16-11-15(28)13-29(16)23-26-17-3-1-2-4-19(17)32-23;1-15-2-4-16(5-3-15)27-12-17-6-7-18(13-27)28(17)22-24-19-8-11-31(30)20(19)21(25-22)26-23(14-29)9-10-23;1-14-2-4-15(5-3-14)20-27-26-17-12-28(9-10-29(17)20)21-23-16-6-11-32(31)18(16)19(24-21)25-22(13-30)7-8-22;1-3-29-13(2)15-10-25-7-8-26(11-16(25)21-15)19-22-14-4-9-30(28)17(14)18(23-19)24-20(12-27)5-6-20/h2-3,10,32H,4-9,11-13H2,1H3,(H,25,26,27);1-4,14-16H,5-13H2,(H,24,25,27);2-5,17-18,29H,6-14H2,1H3,(H,24,25,26);2-5,30H,6-13H2,1H3,(H,23,24,25);10,27H,2-9,11-12H2,1H3,(H,22,23,24)/t;15?,16-,33?;17-,18?,31?;;/m.11../s1.
What are the key properties of 2-[(4R)-5-(1,3-benzoxazol-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[3-[(4-chloro-3-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]cyclopropyl]methanol;[1-[[2-[2-(1-ethoxyethenyl)-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;[1-[[2-[(5R)-3-(4-methylphenyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;[1-[[2-[3-(4-methylphenyl)-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]cyclopropyl]methanol?
2-[(4R)-5-(1,3-benzoxazol-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[3-[(4-chloro-3-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]cyclopropyl]methanol;[1-[[2-[2-(1-ethoxyethenyl)-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;[1-[[2-[(5R)-3-(4-methylphenyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;[1-[[2-[3-(4-methylphenyl)-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]cyclopropyl]methanol has a molecular weight of 2288.27 g/mol, XLogP of 9.79, 27 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-5-(1,3-benzoxazol-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;[1-[[2-[3-[(4-chloro-3-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]cyclopropyl]methanol;[1-[[2-[2-(1-ethoxyethenyl)-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;[1-[[2-[(5R)-3-(4-methylphenyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;[1-[[2-[3-(4-methylphenyl)-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]cyclopropyl]methanol is sourced from PubChem (CID 160860923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).