4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-(2,4-dimethylimidazol-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;methyl N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]sulfamate

C86H93Br5N24O10S8 — CID 157221238

About 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-(2,4-dimethylimidazol-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;methyl N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]sulfamate

4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-(2,4-dimethylimidazol-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;methyl N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]sulfamate (PubChem CID 157221238) has the molecular formula C86H93Br5N24O10S8 and a molecular weight of 2278.90 g/mol. Its IUPAC name is 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-(2,4-dimethylimidazol-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;methyl N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]sulfamate.

Molecular Properties

• Compound Name: 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-(2,4-dimethylimidazol-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;methyl N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]sulfamate
• PubChem CID: 157221238
• Molecular Formula: C86H93Br5N24O10S8
• Molecular Weight: 2278.90 g/mol
• Exact Mass: 2272.12
• IUPAC Name: 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-(2,4-dimethylimidazol-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;methyl N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]sulfamate
• SMILES: COS(=O)(=O)Nc1cncc(-c2nc(N3CCCCC3)nc3c(Br)csc23)c1.COc1ncc(-c2nc(N3CCCCC3)nc3c(Br)csc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1CS(=O)(=O)C1CC1.Cc1cn(-c2nc(N3CCCCC3)nc3c(Br)csc23)c(C)n1.Cn1cc(-c2nc(N3CCCCC3)nc3c(Br)csc23)cn1
• InChI: InChI=1S/C20H21BrN4O4S2.C18H20BrN5O3S2.C17H18BrN5O3S2.C16H18BrN5S.C15H16BrN5S/c1-28-19-13(11-31(26,27)14-2-3-14)8-12(9-22-19)16-18-17(15(21)10-30-18)24-20(23-16)25-4-6-29-7-5-25;1-27-17-13(23-29(2,25)26)8-11(9-20-17)14-16-15(12(19)10-28-16)22-18(21-14)24-6-4-3-5-7-24;1-26-28(24,25)22-12-7-11(8-19-9-12)14-16-15(13(18)10-27-16)21-17(20-14)23-5-3-2-4-6-23;1-10-8-22(11(2)18-10)15-14-13(12(17)9-23-14)19-16(20-15)21-6-4-3-5-7-21;1-20-8-10(7-17-20)12-14-13(11(16)9-22-14)19-15(18-12)21-5-3-2-4-6-21/h8-10,14H,2-7,11H2,1H3;8-10,23H,3-7H2,1-2H3;7-10,22H,2-6H2,1H3;8-9H,3-7H2,1-2H3;7-9H,2-6H2,1H3
• InChIKey: ASZYPQQQVXDENY-UHFFFAOYSA-N
• XLogP: 19.22
• TPSA: 382.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2278.90
LogP ≤ 5	19.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-(2,4-dimethylimidazol-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;methyl N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]sulfamate?

The IUPAC name of 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-(2,4-dimethylimidazol-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;methyl N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]sulfamate (CID 157221238) is 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-(2,4-dimethylimidazol-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;methyl N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]sulfamate.

What is the SMILES notation for 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-(2,4-dimethylimidazol-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;methyl N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]sulfamate?

The canonical SMILES for 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-(2,4-dimethylimidazol-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;methyl N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]sulfamate is COS(=O)(=O)Nc1cncc(-c2nc(N3CCCCC3)nc3c(Br)csc23)c1.COc1ncc(-c2nc(N3CCCCC3)nc3c(Br)csc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1CS(=O)(=O)C1CC1.Cc1cn(-c2nc(N3CCCCC3)nc3c(Br)csc23)c(C)n1.Cn1cc(-c2nc(N3CCCCC3)nc3c(Br)csc23)cn1.

What is the InChIKey of 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-(2,4-dimethylimidazol-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;methyl N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]sulfamate?

The InChIKey is ASZYPQQQVXDENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O4S2.C18H20BrN5O3S2.C17H18BrN5O3S2.C16H18BrN5S.C15H16BrN5S/c1-28-19-13(11-31(26,27)14-2-3-14)8-12(9-22-19)16-18-17(15(21)10-30-18)24-20(23-16)25-4-6-29-7-5-25;1-27-17-13(23-29(2,25)26)8-11(9-20-17)14-16-15(12(19)10-28-16)22-18(21-14)24-6-4-3-5-7-24;1-26-28(24,25)22-12-7-11(8-19-9-12)14-16-15(13(18)10-27-16)21-17(20-14)23-5-3-2-4-6-23;1-10-8-22(11(2)18-10)15-14-13(12(17)9-23-14)19-16(20-15)21-6-4-3-5-7-21;1-20-8-10(7-17-20)12-14-13(11(16)9-22-14)19-15(18-12)21-5-3-2-4-6-21/h8-10,14H,2-7,11H2,1H3;8-10,23H,3-7H2,1-2H3;7-10,22H,2-6H2,1H3;8-9H,3-7H2,1-2H3;7-9H,2-6H2,1H3.

What are the key properties of 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-(2,4-dimethylimidazol-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;methyl N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]sulfamate?

4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-(2,4-dimethylimidazol-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;methyl N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]sulfamate has a molecular weight of 2278.90 g/mol, XLogP of 19.22, 20 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-(2,4-dimethylimidazol-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;methyl N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-3-pyridinyl]sulfamate is sourced from PubChem (CID 157221238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).