4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide

C79H90Br4N18O14S8 — CID 158289246

IUPAC4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2nc(N3CCCCC3)nc3c(Br)csc23)cnc1OC.COc1ncc(-c2nc(N3CCCCC3)nc3c(Br)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1CS(=O)(=O)C1CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1CS(=O)(=O)N(C)C
InChIInChI=1S/C21H23BrN4O4S2.C20H23BrN4O3S2.C19H22BrN5O4S2.C19H22BrN5O3S2/c1-12-16(22)18-19(31-12)17(24-21(25-18)26-5-7-30-8-6-26)13-9-14(20(29-2)23-10-13)11-32(27,28)15-3-4-15;1-12-15(21)17-18(29-12)16(23-20(24-17)25-7-5-4-6-8-25)13-9-14(11-30(3,26)27)19(28-2)22-10-13;1-24(2)31(26,27)11-13-8-12(9-21-18(13)28-3)15-17-16(14(20)10-30-17)23-19(22-15)25-4-6-29-7-5-25;1-3-30(26,27)24-14-9-12(10-21-18(14)28-2)15-17-16(13(20)11-29-17)23-19(22-15)25-7-5-4-6-8-25/h9-10,15H,3-8,11H2,1-2H3;9-10H,4-8,11H2,1-3H3;8-10H,4-7,11H2,1-3H3;9-11,24H,3-8H2,1-2H3
InChIKeyGLDPRAGYABIHTL-UHFFFAOYSA-N
MW2091.85 g/mol
LogP15.14
Rot. Bonds23

About 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide

4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide (PubChem CID 158289246) has the molecular formula C79H90Br4N18O14S8 and a molecular weight of 2091.85 g/mol. Its IUPAC name is 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound Name4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide
PubChem CID158289246
Molecular FormulaC79H90Br4N18O14S8
Molecular Weight2091.85 g/mol
Exact Mass2086.14
IUPAC Name4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2nc(N3CCCCC3)nc3c(Br)csc23)cnc1OC.COc1ncc(-c2nc(N3CCCCC3)nc3c(Br)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1CS(=O)(=O)C1CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1CS(=O)(=O)N(C)C
InChIInChI=1S/C21H23BrN4O4S2.C20H23BrN4O3S2.C19H22BrN5O4S2.C19H22BrN5O3S2/c1-12-16(22)18-19(31-12)17(24-21(25-18)26-5-7-30-8-6-26)13-9-14(20(29-2)23-10-13)11-32(27,28)15-3-4-15;1-12-15(21)17-18(29-12)16(23-20(24-17)25-7-5-4-6-8-25)13-9-14(11-30(3,26)27)19(28-2)22-10-13;1-24(2)31(26,27)11-13-8-12(9-21-18(13)28-3)15-17-16(14(20)10-30-17)23-19(22-15)25-4-6-29-7-5-25;1-3-30(26,27)24-14-9-12(10-21-18(14)28-2)15-17-16(13(20)11-29-17)23-19(22-15)25-7-5-4-6-8-25/h9-10,15H,3-8,11H2,1-2H3;9-10H,4-8,11H2,1-3H3;8-10H,4-7,11H2,1-3H3;9-11,24H,3-8H2,1-2H3
InChIKeyGLDPRAGYABIHTL-UHFFFAOYSA-N
XLogP15.14
TPSA374.85 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds23
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002091.85
LogP ≤ 515.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[7-[[4-(4-fluoropiperidin-1-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122427967
N-[5-[7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxypyridin-3-yl]methanesulfonamide
CID 122428071
N-[5-[7-[(4-fluoropiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122428439
N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122428511
4-[[4-[5-(methanesulfonamido)-6-methoxypyridin-3-yl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 122432278
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]pyridin-3-yl]cyclopropanesulfonamide
CID 122432282
N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]pyridin-3-yl]methanesulfonamide
CID 122432291
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]pyridin-3-yl]cyclopropanesulfonamide
CID 122432314
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]pyridin-3-yl]methanesulfonamide
CID 122432348
N-[5-[7-[[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxypyridin-3-yl]methanesulfonamide
CID 122432354
N-[5-[7-[[4-(2-fluoropropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
CID 122432390
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]pyridin-3-yl]methanesulfonamide
CID 122432511

Frequently Asked Questions

What is the IUPAC name of 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide?
The IUPAC name of 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide (CID 158289246) is 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2nc(N3CCCCC3)nc3c(Br)csc23)cnc1OC.COc1ncc(-c2nc(N3CCCCC3)nc3c(Br)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)c(C)sc23)cc1CS(=O)(=O)C1CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1CS(=O)(=O)N(C)C.
What is the InChIKey of 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide?
The InChIKey is GLDPRAGYABIHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O4S2.C20H23BrN4O3S2.C19H22BrN5O4S2.C19H22BrN5O3S2/c1-12-16(22)18-19(31-12)17(24-21(25-18)26-5-7-30-8-6-26)13-9-14(20(29-2)23-10-13)11-32(27,28)15-3-4-15;1-12-15(21)17-18(29-12)16(23-20(24-17)25-7-5-4-6-8-25)13-9-14(11-30(3,26)27)19(28-2)22-10-13;1-24(2)31(26,27)11-13-8-12(9-21-18(13)28-3)15-17-16(14(20)10-30-17)23-19(22-15)25-4-6-29-7-5-25;1-3-30(26,27)24-14-9-12(10-21-18(14)28-2)15-17-16(13(20)11-29-17)23-19(22-15)25-7-5-4-6-8-25/h9-10,15H,3-8,11H2,1-2H3;9-10H,4-8,11H2,1-3H3;8-10H,4-7,11H2,1-3H3;9-11,24H,3-8H2,1-2H3.
What are the key properties of 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide?
4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide has a molecular weight of 2091.85 g/mol, XLogP of 15.14, 23 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-bromo-4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;N-[5-(7-bromo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 158289246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).