4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;1-[4-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine

C111H142F6N22O18S8 — CID 159547200

IUPAC4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;1-[4-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine
SMILESCOc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(OC)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(OC)CC4)c(C)sc23)cc1CS(=O)(=O)C1CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)C(F)(F)F)CC4)c(C)sc23)cc1CS(=O)(=O)C1CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(CC(F)(F)F)CC4)c(C)sc23)cc1CS(=O)(=O)C1CC1
InChIInChI=1S/C28H33F3N6O5S2.C28H35F3N6O4S2.C28H37N5O5S2.C27H37N5O4S2/c1-17-21(15-35-5-7-36(8-6-35)26(38)28(29,30)31)23-24(43-17)22(33-27(34-23)37-9-11-42-12-10-37)18-13-19(25(41-2)32-14-18)16-44(39,40)20-3-4-20;1-18-22(15-35-5-7-36(8-6-35)17-28(29,30)31)24-25(42-18)23(33-27(34-24)37-9-11-41-12-10-37)19-13-20(26(40-2)32-14-19)16-43(38,39)21-3-4-21;1-18-23(16-32-8-6-21(36-2)7-9-32)25-26(39-18)24(30-28(31-25)33-10-12-38-13-11-33)19-14-20(27(37-3)29-15-19)17-40(34,35)22-4-5-22;1-18-22(16-31-12-8-21(35-2)9-13-31)24-25(37-18)23(29-27(30-24)32-10-6-5-7-11-32)19-14-20(17-38(4,33)34)26(36-3)28-15-19/h13-14,20H,3-12,15-16H2,1-2H3;13-14,21H,3-12,15-17H2,1-2H3;14-15,21-22H,4-13,16-17H2,1-3H3;14-15,21H,5-13,16-17H2,1-4H3
InChIKeyMEYIKLYHTUUDET-UHFFFAOYSA-N
MW2443.02 g/mol
LogP14.67
Rot. Bonds34

About 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;1-[4-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine

4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;1-[4-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine (PubChem CID 159547200) has the molecular formula C111H142F6N22O18S8 and a molecular weight of 2443.02 g/mol. Its IUPAC name is 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;1-[4-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;1-[4-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine
PubChem CID159547200
Molecular FormulaC111H142F6N22O18S8
Molecular Weight2443.02 g/mol
Exact Mass2440.85
IUPAC Name4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;1-[4-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine
SMILESCOc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(OC)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(OC)CC4)c(C)sc23)cc1CS(=O)(=O)C1CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)C(F)(F)F)CC4)c(C)sc23)cc1CS(=O)(=O)C1CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(CC(F)(F)F)CC4)c(C)sc23)cc1CS(=O)(=O)C1CC1
InChIInChI=1S/C28H33F3N6O5S2.C28H35F3N6O4S2.C28H37N5O5S2.C27H37N5O4S2/c1-17-21(15-35-5-7-36(8-6-35)26(38)28(29,30)31)23-24(43-17)22(33-27(34-23)37-9-11-42-12-10-37)18-13-19(25(41-2)32-14-18)16-44(39,40)20-3-4-20;1-18-22(15-35-5-7-36(8-6-35)17-28(29,30)31)24-25(42-18)23(33-27(34-24)37-9-11-41-12-10-37)19-13-20(26(40-2)32-14-19)16-43(38,39)21-3-4-21;1-18-23(16-32-8-6-21(36-2)7-9-32)25-26(39-18)24(30-28(31-25)33-10-12-38-13-11-33)19-14-20(27(37-3)29-15-19)17-40(34,35)22-4-5-22;1-18-22(16-31-12-8-21(35-2)9-13-31)24-25(37-18)23(29-27(30-24)32-10-6-5-7-11-32)19-14-20(17-38(4,33)34)26(36-3)28-15-19/h13-14,20H,3-12,15-16H2,1-2H3;13-14,21H,3-12,15-17H2,1-2H3;14-15,21-22H,4-13,16-17H2,1-3H3;14-15,21H,5-13,16-17H2,1-4H3
InChIKeyMEYIKLYHTUUDET-UHFFFAOYSA-N
XLogP14.67
TPSA423.78 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds34
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002443.02
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;1-[4-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

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-(2,2,2-trifluoroacetyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]pyridin-3-yl]methanesulfonamide
CID 122432340
1-[[4-[5-(methanesulfonamido)-6-methoxypyridin-3-yl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 122432504
N-[5-[7-[(4-acetylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122427951
N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122428468
N-[2-methoxy-5-[7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]cyclopropanesulfonamide
CID 122432313
4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidine;2,2,2-trifluoro-1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone
CID 157320862
7-[[4-(2-Fluoropropan-2-yl)piperidin-1-yl]methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-(piperidin-1-ylmethyl)thieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[(4-propan-2-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidine
CID 158058813
4-[4-[5-(Cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-ethylpiperazin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine;ethyl trifluoromethanesulfonate
CID 158238957

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;1-[4-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;1-[4-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine (CID 159547200) is 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;1-[4-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;1-[4-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;1-[4-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine is COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(OC)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(OC)CC4)c(C)sc23)cc1CS(=O)(=O)C1CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)C(F)(F)F)CC4)c(C)sc23)cc1CS(=O)(=O)C1CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(CC(F)(F)F)CC4)c(C)sc23)cc1CS(=O)(=O)C1CC1.
What is the InChIKey of 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;1-[4-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine?
The InChIKey is MEYIKLYHTUUDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N6O5S2.C28H35F3N6O4S2.C28H37N5O5S2.C27H37N5O4S2/c1-17-21(15-35-5-7-36(8-6-35)26(38)28(29,30)31)23-24(43-17)22(33-27(34-23)37-9-11-42-12-10-37)18-13-19(25(41-2)32-14-18)16-44(39,40)20-3-4-20;1-18-22(15-35-5-7-36(8-6-35)17-28(29,30)31)24-25(42-18)23(33-27(34-24)37-9-11-41-12-10-37)19-13-20(26(40-2)32-14-19)16-43(38,39)21-3-4-21;1-18-23(16-32-8-6-21(36-2)7-9-32)25-26(39-18)24(30-28(31-25)33-10-12-38-13-11-33)19-14-20(27(37-3)29-15-19)17-40(34,35)22-4-5-22;1-18-22(16-31-12-8-21(35-2)9-13-31)24-25(37-18)23(29-27(30-24)32-10-6-5-7-11-32)19-14-20(17-38(4,33)34)26(36-3)28-15-19/h13-14,20H,3-12,15-16H2,1-2H3;13-14,21H,3-12,15-17H2,1-2H3;14-15,21-22H,4-13,16-17H2,1-3H3;14-15,21H,5-13,16-17H2,1-4H3.
What are the key properties of 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;1-[4-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine?
4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;1-[4-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine has a molecular weight of 2443.02 g/mol, XLogP of 14.67, 34 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;1-[4-[[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone;4-[4-[5-(cyclopropylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[(4-methoxypiperidin-1-yl)methyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 159547200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).