(5S)-5-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;(5S)-5-[[2-[4-[5-(furan-2-yl)-2H-pyrrol-3-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;(5S)-1-methyl-5-[[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-yl]amino]piperidin-2-one;2-[4-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C128H172N30O15S5 — CID 158550902

IUPAC(5S)-5-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;(5S)-5-[[2-[4-[5-(furan-2-yl)-2H-pyrrol-3-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;(5S)-1-methyl-5-[[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-yl]amino]piperidin-2-one;2-[4-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESC.C.C.C.CC(C)c1noc(C2CCN(c3nc4c(c(N[C@H]5CCC(=O)N(C)C5)n3)S(=O)CC4)CC2)n1.CN1CCc2ccc(OC3CCN(c4nc5c(c(NC6CCOCC6)n4)S(=O)CC5)CC3)cc2CC1.CN1C[C@@H](Nc2nc(N3CCC(C4=CC(c5ccco5)=NC4)CC3)nc3c2S(=O)CC3)CCC1=O.CN1C[C@@H](Nc2nc(N3CCC(c4cc5ccccc5o4)CC3)nc3c2S(=O)CC3)CCC1=O.CN1C[C@@H](Nc2nc(N3CCC(c4nc(-c5ccccc5)no4)CC3)nc3c2S(=O)CC3)CCC1=O
InChIInChI=1S/C27H37N5O3S.C25H29N7O3S.C25H30N6O3S.C25H29N5O3S.C22H31N7O3S.4CH4/c1-31-11-4-19-2-3-23(18-20(19)5-12-31)35-22-6-13-32(14-7-22)27-29-24-10-17-36(33)25(24)26(30-27)28-21-8-15-34-16-9-21;1-31-15-18(7-8-20(31)33)26-23-21-19(11-14-36(21)34)27-25(29-23)32-12-9-17(10-13-32)24-28-22(30-35-24)16-5-3-2-4-6-16;1-30-15-18(4-5-22(30)32)27-24-23-19(8-12-35(23)33)28-25(29-24)31-9-6-16(7-10-31)17-13-20(26-14-17)21-3-2-11-34-21;1-29-15-18(6-7-22(29)31)26-24-23-19(10-13-34(23)32)27-25(28-24)30-11-8-16(9-12-30)21-14-17-4-2-3-5-20(17)33-21;1-13(2)19-25-21(32-27-19)14-6-9-29(10-7-14)22-24-16-8-11-33(31)18(16)20(26-22)23-15-4-5-17(30)28(3)12-15;;;;/h2-3,18,21-22H,4-17H2,1H3,(H,28,29,30);2-6,17-18H,7-15H2,1H3,(H,26,27,29);2-3,11,13,16,18H,4-10,12,14-15H2,1H3,(H,27,28,29);2-5,14,16,18H,6-13,15H2,1H3,(H,26,27,28);13-15H,4-12H2,1-3H3,(H,23,24,26);4*1H4/t;18-,36?;18-,35?;18-,34?;15-,33?;;;;/m.0000..../s1
InChIKeyHPRXJJMKGTZCOB-BAZMPKILSA-N
MW2531.31 g/mol
LogP15.74
Rot. Bonds24

About (5S)-5-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;(5S)-5-[[2-[4-[5-(furan-2-yl)-2H-pyrrol-3-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;(5S)-1-methyl-5-[[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-yl]amino]piperidin-2-one;2-[4-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

(5S)-5-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;(5S)-5-[[2-[4-[5-(furan-2-yl)-2H-pyrrol-3-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;(5S)-1-methyl-5-[[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-yl]amino]piperidin-2-one;2-[4-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 158550902) has the molecular formula C128H172N30O15S5 and a molecular weight of 2531.31 g/mol. Its IUPAC name is (5S)-5-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;(5S)-5-[[2-[4-[5-(furan-2-yl)-2H-pyrrol-3-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;(5S)-1-methyl-5-[[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-yl]amino]piperidin-2-one;2-[4-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name(5S)-5-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;(5S)-5-[[2-[4-[5-(furan-2-yl)-2H-pyrrol-3-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;(5S)-1-methyl-5-[[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-yl]amino]piperidin-2-one;2-[4-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID158550902
Molecular FormulaC128H172N30O15S5
Molecular Weight2531.31 g/mol
Exact Mass2529.22
IUPAC Name(5S)-5-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;(5S)-5-[[2-[4-[5-(furan-2-yl)-2H-pyrrol-3-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;(5S)-1-methyl-5-[[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-yl]amino]piperidin-2-one;2-[4-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESC.C.C.C.CC(C)c1noc(C2CCN(c3nc4c(c(N[C@H]5CCC(=O)N(C)C5)n3)S(=O)CC4)CC2)n1.CN1CCc2ccc(OC3CCN(c4nc5c(c(NC6CCOCC6)n4)S(=O)CC5)CC3)cc2CC1.CN1C[C@@H](Nc2nc(N3CCC(C4=CC(c5ccco5)=NC4)CC3)nc3c2S(=O)CC3)CCC1=O.CN1C[C@@H](Nc2nc(N3CCC(c4cc5ccccc5o4)CC3)nc3c2S(=O)CC3)CCC1=O.CN1C[C@@H](Nc2nc(N3CCC(c4nc(-c5ccccc5)no4)CC3)nc3c2S(=O)CC3)CCC1=O
InChIInChI=1S/C27H37N5O3S.C25H29N7O3S.C25H30N6O3S.C25H29N5O3S.C22H31N7O3S.4CH4/c1-31-11-4-19-2-3-23(18-20(19)5-12-31)35-22-6-13-32(14-7-22)27-29-24-10-17-36(33)25(24)26(30-27)28-21-8-15-34-16-9-21;1-31-15-18(7-8-20(31)33)26-23-21-19(11-14-36(21)34)27-25(29-23)32-12-9-17(10-13-32)24-28-22(30-35-24)16-5-3-2-4-6-16;1-30-15-18(4-5-22(30)32)27-24-23-19(8-12-35(23)33)28-25(29-24)31-9-6-16(7-10-31)17-13-20(26-14-17)21-3-2-11-34-21;1-29-15-18(6-7-22(29)31)26-24-23-19(10-13-34(23)32)27-25(28-24)30-11-8-16(9-12-30)21-14-17-4-2-3-5-20(17)33-21;1-13(2)19-25-21(32-27-19)14-6-9-29(10-7-14)22-24-16-8-11-33(31)18(16)20(26-22)23-15-4-5-17(30)28(3)12-15;;;;/h2-3,18,21-22H,4-17H2,1H3,(H,28,29,30);2-6,17-18H,7-15H2,1H3,(H,26,27,29);2-3,11,13,16,18H,4-10,12,14-15H2,1H3,(H,27,28,29);2-5,14,16,18H,6-13,15H2,1H3,(H,26,27,28);13-15H,4-12H2,1-3H3,(H,23,24,26);4*1H4/t;18-,36?;18-,35?;18-,34?;15-,33?;;;;/m.0000..../s1
InChIKeyHPRXJJMKGTZCOB-BAZMPKILSA-N
XLogP15.74
TPSA510.02 Ų
H-Bond Donors5
H-Bond Acceptors41
Rotatable Bonds24
Heavy Atoms178
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002531.31
LogP ≤ 515.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1041

Analyze (5S)-5-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;(5S)-5-[[2-[4-[5-(furan-2-yl)-2H-pyrrol-3-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;(5S)-1-methyl-5-[[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-yl]amino]piperidin-2-one;2-[4-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;(5S)-5-[[2-[4-[5-(furan-2-yl)-2H-pyrrol-3-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;(5S)-1-methyl-5-[[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-yl]amino]piperidin-2-one;2-[4-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of (5S)-5-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;(5S)-5-[[2-[4-[5-(furan-2-yl)-2H-pyrrol-3-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;(5S)-1-methyl-5-[[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-yl]amino]piperidin-2-one;2-[4-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 158550902) is (5S)-5-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;(5S)-5-[[2-[4-[5-(furan-2-yl)-2H-pyrrol-3-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;(5S)-1-methyl-5-[[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-yl]amino]piperidin-2-one;2-[4-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for (5S)-5-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;(5S)-5-[[2-[4-[5-(furan-2-yl)-2H-pyrrol-3-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;(5S)-1-methyl-5-[[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-yl]amino]piperidin-2-one;2-[4-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for (5S)-5-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;(5S)-5-[[2-[4-[5-(furan-2-yl)-2H-pyrrol-3-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;(5S)-1-methyl-5-[[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-yl]amino]piperidin-2-one;2-[4-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is C.C.C.C.CC(C)c1noc(C2CCN(c3nc4c(c(N[C@H]5CCC(=O)N(C)C5)n3)S(=O)CC4)CC2)n1.CN1CCc2ccc(OC3CCN(c4nc5c(c(NC6CCOCC6)n4)S(=O)CC5)CC3)cc2CC1.CN1C[C@@H](Nc2nc(N3CCC(C4=CC(c5ccco5)=NC4)CC3)nc3c2S(=O)CC3)CCC1=O.CN1C[C@@H](Nc2nc(N3CCC(c4cc5ccccc5o4)CC3)nc3c2S(=O)CC3)CCC1=O.CN1C[C@@H](Nc2nc(N3CCC(c4nc(-c5ccccc5)no4)CC3)nc3c2S(=O)CC3)CCC1=O.
What is the InChIKey of (5S)-5-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;(5S)-5-[[2-[4-[5-(furan-2-yl)-2H-pyrrol-3-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;(5S)-1-methyl-5-[[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-yl]amino]piperidin-2-one;2-[4-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is HPRXJJMKGTZCOB-BAZMPKILSA-N. The full InChI is InChI=1S/C27H37N5O3S.C25H29N7O3S.C25H30N6O3S.C25H29N5O3S.C22H31N7O3S.4CH4/c1-31-11-4-19-2-3-23(18-20(19)5-12-31)35-22-6-13-32(14-7-22)27-29-24-10-17-36(33)25(24)26(30-27)28-21-8-15-34-16-9-21;1-31-15-18(7-8-20(31)33)26-23-21-19(11-14-36(21)34)27-25(29-23)32-12-9-17(10-13-32)24-28-22(30-35-24)16-5-3-2-4-6-16;1-30-15-18(4-5-22(30)32)27-24-23-19(8-12-35(23)33)28-25(29-24)31-9-6-16(7-10-31)17-13-20(26-14-17)21-3-2-11-34-21;1-29-15-18(6-7-22(29)31)26-24-23-19(10-13-34(23)32)27-25(28-24)30-11-8-16(9-12-30)21-14-17-4-2-3-5-20(17)33-21;1-13(2)19-25-21(32-27-19)14-6-9-29(10-7-14)22-24-16-8-11-33(31)18(16)20(26-22)23-15-4-5-17(30)28(3)12-15;;;;/h2-3,18,21-22H,4-17H2,1H3,(H,28,29,30);2-6,17-18H,7-15H2,1H3,(H,26,27,29);2-3,11,13,16,18H,4-10,12,14-15H2,1H3,(H,27,28,29);2-5,14,16,18H,6-13,15H2,1H3,(H,26,27,28);13-15H,4-12H2,1-3H3,(H,23,24,26);4*1H4/t;18-,36?;18-,35?;18-,34?;15-,33?;;;;/m.0000..../s1.
What are the key properties of (5S)-5-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;(5S)-5-[[2-[4-[5-(furan-2-yl)-2H-pyrrol-3-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;(5S)-1-methyl-5-[[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-yl]amino]piperidin-2-one;2-[4-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
(5S)-5-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;(5S)-5-[[2-[4-[5-(furan-2-yl)-2H-pyrrol-3-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;(5S)-1-methyl-5-[[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-yl]amino]piperidin-2-one;2-[4-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 2531.31 g/mol, XLogP of 15.74, 24 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;(5S)-5-[[2-[4-[5-(furan-2-yl)-2H-pyrrol-3-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one;methane;(5S)-1-methyl-5-[[5-oxo-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one;(5S)-1-methyl-5-[[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-yl]amino]piperidin-2-one;2-[4-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 158550902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).