About N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;3-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole;N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(4-piperidin-1-ylcyclohexyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]propan-1-one
N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;3-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole;N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(4-piperidin-1-ylcyclohexyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]propan-1-one (PubChem CID 157097053) has the molecular formula C130H151N43O4S6
and a molecular weight of 2572.34 g/mol. Its IUPAC name is N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;3-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole;N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(4-piperidin-1-ylcyclohexyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]propan-1-one.
Frequently Asked Questions
What is the IUPAC name of N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;3-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole;N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(4-piperidin-1-ylcyclohexyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]propan-1-one?
The IUPAC name of N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;3-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole;N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(4-piperidin-1-ylcyclohexyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]propan-1-one (CID 157097053) is N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;3-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole;N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(4-piperidin-1-ylcyclohexyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]propan-1-one.
What is the SMILES notation for N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;3-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole;N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(4-piperidin-1-ylcyclohexyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]propan-1-one?
The canonical SMILES for N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;3-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole;N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(4-piperidin-1-ylcyclohexyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]propan-1-one is CCC(=O)c1ccc(Nc2nc(Cc3cc(C)ns3)nc3ccn(-c4cnn(C)c4)c23)cc1.Cc1cc(Cc2nc(N(C)C3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NC3CCC(N4CCCCC4)CC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NC3CCN(C)CC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(OC(C)C)c3c(ccn3-c3cnn(C)c3)n2)sn1.
What is the InChIKey of N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;3-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole;N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(4-piperidin-1-ylcyclohexyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]propan-1-one?
The InChIKey is AFIHCGNQWRTVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8S.C24H23N7OS.C21H26N8S.C21H25N7OS.C20H23N7OS.C18H20N6OS/c1-18-14-22(35-31-18)15-24-29-23-10-13-34(21-16-27-32(2)17-21)25(23)26(30-24)28-19-6-8-20(9-7-19)33-11-4-3-5-12-33;1-4-21(32)16-5-7-17(8-6-16)26-24-23-20(9-10-31(23)18-13-25-30(3)14-18)27-22(28-24)12-19-11-15(2)29-33-19;1-14-10-17(30-26-14)11-19-24-18-6-9-29(16-12-22-28(3)13-16)20(18)21(25-19)23-15-4-7-27(2)8-5-15;1-14-10-17(30-25-14)11-19-23-18-4-7-28(16-12-22-26(2)13-16)20(18)21(24-19)27(3)15-5-8-29-9-6-15;1-13-9-16(29-25-13)10-18-23-17-3-6-27(15-11-21-26(2)12-15)19(17)20(24-18)22-14-4-7-28-8-5-14;1-11(2)25-18-17-15(5-6-24(17)13-9-19-23(4)10-13)20-16(21-18)8-14-7-12(3)22-26-14/h10,13-14,16-17,19-20H,3-9,11-12,15H2,1-2H3,(H,28,29,30);5-11,13-14H,4,12H2,1-3H3,(H,26,27,28);6,9-10,12-13,15H,4-5,7-8,11H2,1-3H3,(H,23,24,25);4,7,10,12-13,15H,5-6,8-9,11H2,1-3H3;3,6,9,11-12,14H,4-5,7-8,10H2,1-2H3,(H,22,23,24);5-7,9-11H,8H2,1-4H3.
What are the key properties of N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;3-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole;N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(4-piperidin-1-ylcyclohexyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]propan-1-one?
N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;3-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole;N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(4-piperidin-1-ylcyclohexyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]propan-1-one has a molecular weight of 2572.34 g/mol, XLogP of 22.10, 33 rotatable bonds, 4 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;3-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole;N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(4-piperidin-1-ylcyclohexyl)pyrrolo[3,2-d]pyrimidin-4-amine;1-[4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]propan-1-one is sourced from PubChem (CID 157097053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).