(2R)-2-amino-3-(4-chloro-3-fluorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one

C191H248Cl8F2N40O8S8 — CID 158687582

About (2R)-2-amino-3-(4-chloro-3-fluorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one

(2R)-2-amino-3-(4-chloro-3-fluorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 158687582) has the molecular formula C191H248Cl8F2N40O8S8 and a molecular weight of 3810.51 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-chloro-3-fluorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

• Compound Name: (2R)-2-amino-3-(4-chloro-3-fluorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
• PubChem CID: 158687582
• Molecular Formula: C191H248Cl8F2N40O8S8
• Molecular Weight: 3810.51 g/mol
• Exact Mass: 3803.55
• IUPAC Name: (2R)-2-amino-3-(4-chloro-3-fluorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
• SMILES: CC(C)NCC(C(=O)N1CCN(c2ncnc3c2[C@@H](C)SC3)[C@@H](C)C1)c1ccc(Cl)cc1.CC(C)NCC(C(=O)N1CCN(c2ncnc3c2[C@H](C)SC3)[C@@H](C)C1)c1ccc(Cl)cc1.C[C@@H]1SCc2ncnc(N3CCN(C(=O)C(CC(C)(C)N)c4ccc(Cl)c(F)c4)C[C@@H]3C)c21.C[C@@H]1SCc2ncnc(N3CCN(C(=O)C(CC(C)(C)N)c4ccc(Cl)cc4)C[C@@H]3C)c21.C[C@@H]1SCc2ncnc(N3CCN(C(=O)C(CN4CCCC4)c4ccc(Cl)cc4)C[C@@H]3C)c21.C[C@H]1SCc2ncnc(N3CCN(C(=O)C(CC(C)(C)N)c4ccc(Cl)cc4)C[C@@H]3C)c21.C[C@H]1SCc2ncnc(N3CCN(C(=O)C(CN4CCCC4)c4ccc(Cl)cc4)C[C@@H]3C)c21.C[C@H]1SCc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)c(F)c4)C[C@@H]3C)c21
• InChI: InChI=1S/2C25H32ClN5OS.C24H31ClFN5OS.4C24H32ClN5OS.C21H25ClFN5OS/c2*1-17-13-30(11-12-31(17)24-23-18(2)33-15-22(23)27-16-28-24)25(32)21(14-29-9-3-4-10-29)19-5-7-20(26)8-6-19;1-14-11-30(7-8-31(14)22-21-15(2)33-12-20(21)28-13-29-22)23(32)17(10-24(3,4)27)16-5-6-18(25)19(26)9-16;2*1-15-12-29(9-10-30(15)22-21-16(2)32-13-20(21)27-14-28-22)23(31)19(11-24(3,4)26)17-5-7-18(25)8-6-17;2*1-15(2)26-11-20(18-5-7-19(25)8-6-18)24(31)29-9-10-30(16(3)12-29)23-22-17(4)32-13-21(22)27-14-28-23;1-12-9-27(21(29)17(24)8-14-3-4-15(22)16(23)7-14)5-6-28(12)20-19-13(2)30-10-18(19)25-11-26-20/h2*5-8,16-18,21H,3-4,9-15H2,1-2H3;5-6,9,13-15,17H,7-8,10-12,27H2,1-4H3;2*5-8,14-16,19H,9-13,26H2,1-4H3;2*5-8,14-17,20,26H,9-13H2,1-4H3;3-4,7,11-13,17H,5-6,8-10,24H2,1-2H3/t17-,18+,21?;17-,18-,21?;14-,15-,17?;15-,16+,19?;15-,16-,19?;16-,17+,20?;16-,17-,20?;12-,13+,17+/m00000000/s1
• InChIKey: IFXXRCOSZDUMBS-OVELJRDQSA-N
• XLogP: 33.70
• TPSA: 529.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 48
• Rotatable Bonds: 41
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3810.51
LogP ≤ 5	33.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-chloro-3-fluorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?

The IUPAC name of (2R)-2-amino-3-(4-chloro-3-fluorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one (CID 158687582) is (2R)-2-amino-3-(4-chloro-3-fluorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one.

What is the SMILES notation for (2R)-2-amino-3-(4-chloro-3-fluorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?

The canonical SMILES for (2R)-2-amino-3-(4-chloro-3-fluorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one is CC(C)NCC(C(=O)N1CCN(c2ncnc3c2[C@@H](C)SC3)[C@@H](C)C1)c1ccc(Cl)cc1.CC(C)NCC(C(=O)N1CCN(c2ncnc3c2[C@H](C)SC3)[C@@H](C)C1)c1ccc(Cl)cc1.C[C@@H]1SCc2ncnc(N3CCN(C(=O)C(CC(C)(C)N)c4ccc(Cl)c(F)c4)C[C@@H]3C)c21.C[C@@H]1SCc2ncnc(N3CCN(C(=O)C(CC(C)(C)N)c4ccc(Cl)cc4)C[C@@H]3C)c21.C[C@@H]1SCc2ncnc(N3CCN(C(=O)C(CN4CCCC4)c4ccc(Cl)cc4)C[C@@H]3C)c21.C[C@H]1SCc2ncnc(N3CCN(C(=O)C(CC(C)(C)N)c4ccc(Cl)cc4)C[C@@H]3C)c21.C[C@H]1SCc2ncnc(N3CCN(C(=O)C(CN4CCCC4)c4ccc(Cl)cc4)C[C@@H]3C)c21.C[C@H]1SCc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)c(F)c4)C[C@@H]3C)c21.

What is the InChIKey of (2R)-2-amino-3-(4-chloro-3-fluorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?

The InChIKey is IFXXRCOSZDUMBS-OVELJRDQSA-N. The full InChI is InChI=1S/2C25H32ClN5OS.C24H31ClFN5OS.4C24H32ClN5OS.C21H25ClFN5OS/c2*1-17-13-30(11-12-31(17)24-23-18(2)33-15-22(23)27-16-28-24)25(32)21(14-29-9-3-4-10-29)19-5-7-20(26)8-6-19;1-14-11-30(7-8-31(14)22-21-15(2)33-12-20(21)28-13-29-22)23(32)17(10-24(3,4)27)16-5-6-18(25)19(26)9-16;2*1-15-12-29(9-10-30(15)22-21-16(2)32-13-20(21)27-14-28-22)23(31)19(11-24(3,4)26)17-5-7-18(25)8-6-17;2*1-15(2)26-11-20(18-5-7-19(25)8-6-18)24(31)29-9-10-30(16(3)12-29)23-22-17(4)32-13-21(22)27-14-28-23;1-12-9-27(21(29)17(24)8-14-3-4-15(22)16(23)7-14)5-6-28(12)20-19-13(2)30-10-18(19)25-11-26-20/h2*5-8,16-18,21H,3-4,9-15H2,1-2H3;5-6,9,13-15,17H,7-8,10-12,27H2,1-4H3;2*5-8,14-16,19H,9-13,26H2,1-4H3;2*5-8,14-17,20,26H,9-13H2,1-4H3;3-4,7,11-13,17H,5-6,8-10,24H2,1-2H3/t17-,18+,21?;17-,18-,21?;14-,15-,17?;15-,16+,19?;15-,16-,19?;16-,17+,20?;16-,17-,20?;12-,13+,17+/m00000000/s1.

What are the key properties of (2R)-2-amino-3-(4-chloro-3-fluorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one?

(2R)-2-amino-3-(4-chloro-3-fluorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 3810.51 g/mol, XLogP of 33.70, 41 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-3-(4-chloro-3-fluorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;4-amino-2-(4-chloro-3-fluorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;4-amino-2-(4-chlorophenyl)-4-methyl-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]pentan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5R)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one;2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 158687582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).