(2R)-2-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-3-methyl-2-[[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[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]butan-1-ol

C119H156N26O14S5 — CID 123384272

IUPAC(2R)-2-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-3-methyl-2-[[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[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]butan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(N2CCC(c3cc(-c4ccco4)n[nH]3)CC2)nc2c1S(=O)CC2.CC(C)[C@H](CO)Nc1nc(N2CCC(c3cc4ccccc4o3)CC2)nc2c1S(=O)CC2.CC(C)[C@H](CO)Nc1nc(N2CCC(c3ccc4ccccc4c3)CC2)nc2c1S(=O)CC2.CC(C)c1noc(C2CCN(c3nc4c(c(N[C@@H](CO)C(C)C)n3)S(=O)CC4)CC2)n1.Cc1ccc(-c2nnc(C3CCN(c4nc5c(c(N[C@@H](CO)C(C)C)n4)S(=O)CC5)CC3)o2)cc1
InChIInChI=1S/C26H32N4O2S.C25H32N6O3S.C24H30N4O3S.C23H30N6O3S.C21H32N6O3S/c1-17(2)23(16-31)27-25-24-22(11-14-33(24)32)28-26(29-25)30-12-9-19(10-13-30)21-8-7-18-5-3-4-6-20(18)15-21;1-15(2)20(14-32)26-22-21-19(10-13-35(21)33)27-25(28-22)31-11-8-18(9-12-31)24-30-29-23(34-24)17-6-4-16(3)5-7-17;1-15(2)19(14-29)25-23-22-18(9-12-32(22)30)26-24(27-23)28-10-7-16(8-11-28)21-13-17-5-3-4-6-20(17)31-21;1-14(2)19(13-30)24-22-21-16(7-11-33(21)31)25-23(26-22)29-8-5-15(6-9-29)17-12-18(28-27-17)20-4-3-10-32-20;1-12(2)16(11-28)22-19-17-15(7-10-31(17)29)23-21(25-19)27-8-5-14(6-9-27)20-24-18(13(3)4)26-30-20/h3-8,15,17,19,23,31H,9-14,16H2,1-2H3,(H,27,28,29);4-7,15,18,20,32H,8-14H2,1-3H3,(H,26,27,28);3-6,13,15-16,19,29H,7-12,14H2,1-2H3,(H,25,26,27);3-4,10,12,14-15,19,30H,5-9,11,13H2,1-2H3,(H,27,28)(H,24,25,26);12-14,16,28H,5-11H2,1-4H3,(H,22,23,25)/t23-,33?;20-,35?;19-,32?;19-,33?;16-,31?/m00000/s1
InChIKeyAVQARDJAUWMELC-LGKGGGERSA-N
MW2335.06 g/mol
LogP16.51
Rot. Bonds33

About (2R)-2-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-3-methyl-2-[[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[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]butan-1-ol

(2R)-2-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-3-methyl-2-[[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[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]butan-1-ol (PubChem CID 123384272) has the molecular formula C119H156N26O14S5 and a molecular weight of 2335.06 g/mol. Its IUPAC name is (2R)-2-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-3-methyl-2-[[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[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]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-3-methyl-2-[[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[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]butan-1-ol
PubChem CID123384272
Molecular FormulaC119H156N26O14S5
Molecular Weight2335.06 g/mol
Exact Mass2333.09
IUPAC Name(2R)-2-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-3-methyl-2-[[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[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]butan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(N2CCC(c3cc(-c4ccco4)n[nH]3)CC2)nc2c1S(=O)CC2.CC(C)[C@H](CO)Nc1nc(N2CCC(c3cc4ccccc4o3)CC2)nc2c1S(=O)CC2.CC(C)[C@H](CO)Nc1nc(N2CCC(c3ccc4ccccc4c3)CC2)nc2c1S(=O)CC2.CC(C)c1noc(C2CCN(c3nc4c(c(N[C@@H](CO)C(C)C)n3)S(=O)CC4)CC2)n1.Cc1ccc(-c2nnc(C3CCN(c4nc5c(c(N[C@@H](CO)C(C)C)n4)S(=O)CC5)CC3)o2)cc1
InChIInChI=1S/C26H32N4O2S.C25H32N6O3S.C24H30N4O3S.C23H30N6O3S.C21H32N6O3S/c1-17(2)23(16-31)27-25-24-22(11-14-33(24)32)28-26(29-25)30-12-9-19(10-13-30)21-8-7-18-5-3-4-6-20(18)15-21;1-15(2)20(14-32)26-22-21-19(10-13-35(21)33)27-25(28-22)31-11-8-18(9-12-31)24-30-29-23(34-24)17-6-4-16(3)5-7-17;1-15(2)19(14-29)25-23-22-18(9-12-32(22)30)26-24(27-23)28-10-7-16(8-11-28)21-13-17-5-3-4-6-20(17)31-21;1-14(2)19(13-30)24-22-21-16(7-11-33(21)31)25-23(26-22)29-8-5-15(6-9-29)17-12-18(28-27-17)20-4-3-10-32-20;1-12(2)16(11-28)22-19-17-15(7-10-31(17)29)23-21(25-19)27-8-5-14(6-9-27)20-24-18(13(3)4)26-30-20/h3-8,15,17,19,23,31H,9-14,16H2,1-2H3,(H,27,28,29);4-7,15,18,20,32H,8-14H2,1-3H3,(H,26,27,28);3-6,13,15-16,19,29H,7-12,14H2,1-2H3,(H,25,26,27);3-4,10,12,14-15,19,30H,5-9,11,13H2,1-2H3,(H,27,28)(H,24,25,26);12-14,16,28H,5-11H2,1-4H3,(H,22,23,25)/t23-,33?;20-,35?;19-,32?;19-,33?;16-,31?/m00000/s1
InChIKeyAVQARDJAUWMELC-LGKGGGERSA-N
XLogP16.51
TPSA524.55 Ų
H-Bond Donors11
H-Bond Acceptors39
Rotatable Bonds33
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002335.06
LogP ≤ 516.51
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1039

Analyze (2R)-2-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-3-methyl-2-[[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[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]butan-1-ol 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 (2R)-2-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-3-methyl-2-[[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[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]butan-1-ol?
The IUPAC name of (2R)-2-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-3-methyl-2-[[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[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]butan-1-ol (CID 123384272) is (2R)-2-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-3-methyl-2-[[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[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]butan-1-ol.
What is the SMILES notation for (2R)-2-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-3-methyl-2-[[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[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]butan-1-ol?
The canonical SMILES for (2R)-2-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-3-methyl-2-[[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[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]butan-1-ol is CC(C)[C@H](CO)Nc1nc(N2CCC(c3cc(-c4ccco4)n[nH]3)CC2)nc2c1S(=O)CC2.CC(C)[C@H](CO)Nc1nc(N2CCC(c3cc4ccccc4o3)CC2)nc2c1S(=O)CC2.CC(C)[C@H](CO)Nc1nc(N2CCC(c3ccc4ccccc4c3)CC2)nc2c1S(=O)CC2.CC(C)c1noc(C2CCN(c3nc4c(c(N[C@@H](CO)C(C)C)n3)S(=O)CC4)CC2)n1.Cc1ccc(-c2nnc(C3CCN(c4nc5c(c(N[C@@H](CO)C(C)C)n4)S(=O)CC5)CC3)o2)cc1.
What is the InChIKey of (2R)-2-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-3-methyl-2-[[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[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]butan-1-ol?
The InChIKey is AVQARDJAUWMELC-LGKGGGERSA-N. The full InChI is InChI=1S/C26H32N4O2S.C25H32N6O3S.C24H30N4O3S.C23H30N6O3S.C21H32N6O3S/c1-17(2)23(16-31)27-25-24-22(11-14-33(24)32)28-26(29-25)30-12-9-19(10-13-30)21-8-7-18-5-3-4-6-20(18)15-21;1-15(2)20(14-32)26-22-21-19(10-13-35(21)33)27-25(28-22)31-11-8-18(9-12-31)24-30-29-23(34-24)17-6-4-16(3)5-7-17;1-15(2)19(14-29)25-23-22-18(9-12-32(22)30)26-24(27-23)28-10-7-16(8-11-28)21-13-17-5-3-4-6-20(17)31-21;1-14(2)19(13-30)24-22-21-16(7-11-33(21)31)25-23(26-22)29-8-5-15(6-9-29)17-12-18(28-27-17)20-4-3-10-32-20;1-12(2)16(11-28)22-19-17-15(7-10-31(17)29)23-21(25-19)27-8-5-14(6-9-27)20-24-18(13(3)4)26-30-20/h3-8,15,17,19,23,31H,9-14,16H2,1-2H3,(H,27,28,29);4-7,15,18,20,32H,8-14H2,1-3H3,(H,26,27,28);3-6,13,15-16,19,29H,7-12,14H2,1-2H3,(H,25,26,27);3-4,10,12,14-15,19,30H,5-9,11,13H2,1-2H3,(H,27,28)(H,24,25,26);12-14,16,28H,5-11H2,1-4H3,(H,22,23,25)/t23-,33?;20-,35?;19-,32?;19-,33?;16-,31?/m00000/s1.
What are the key properties of (2R)-2-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-3-methyl-2-[[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[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]butan-1-ol?
(2R)-2-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-3-methyl-2-[[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[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]butan-1-ol has a molecular weight of 2335.06 g/mol, XLogP of 16.51, 33 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[2-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol;(2R)-3-methyl-2-[[2-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[2-(4-naphthalen-2-ylpiperidin-1-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;(2R)-3-methyl-2-[[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]butan-1-ol is sourced from PubChem (CID 123384272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).