N,N-diethyl-1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-amine;7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N,N-dimethylazetidin-3-amine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidine

C115H157F5N24O12S8 — CID 160952461

IUPACN,N-diethyl-1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-amine;7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N,N-dimethylazetidin-3-amine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidine
SMILESCCN(CC)C1CN(Cc2c(C)sc3c(-c4cnc(OC)c(CS(C)(=O)=O)c4)nc(N4CCCCC4)nc23)C1.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CC(N(C)C)C4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCCC5)C(F)(F)C4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC[C@H]5C(F)(F)F)CC4)c(C)sc23)cc1CS(C)(=O)=O
InChIInChI=1S/C31H41F3N6O3S2.C30H40F2N6O3S2.C28H40N6O3S2.C26H36N6O3S2/c1-20-24(18-38-14-9-23(10-15-38)40-13-7-8-25(40)31(32,33)34)27-28(44-20)26(36-30(37-27)39-11-5-4-6-12-39)21-16-22(19-45(3,41)42)29(43-2)35-17-21;1-20-23(17-36-14-9-24(30(31,32)19-36)37-10-7-8-11-37)26-27(42-20)25(34-29(35-26)38-12-5-4-6-13-38)21-15-22(18-43(3,39)40)28(41-2)33-16-21;1-6-33(7-2)22-15-32(16-22)17-23-19(3)38-26-24(30-28(31-25(23)26)34-11-9-8-10-12-34)20-13-21(18-39(5,35)36)27(37-4)29-14-20;1-17-21(15-31-13-20(14-31)30(2)3)23-24(36-17)22(28-26(29-23)32-9-7-6-8-10-32)18-11-19(16-37(5,33)34)25(35-4)27-12-18/h16-17,23,25H,4-15,18-19H2,1-3H3;15-16,24H,4-14,17-19H2,1-3H3;13-14,22H,6-12,15-18H2,1-5H3;11-12,20H,6-10,13-16H2,1-5H3/t25-;;;/m0.../s1
InChIKeySVYCOUHLLOFYEO-VWIQTUQXSA-N
MW2419.20 g/mol
LogP17.99
Rot. Bonds34

About N,N-diethyl-1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-amine;7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N,N-dimethylazetidin-3-amine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidine

N,N-diethyl-1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-amine;7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N,N-dimethylazetidin-3-amine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidine (PubChem CID 160952461) has the molecular formula C115H157F5N24O12S8 and a molecular weight of 2419.20 g/mol. Its IUPAC name is N,N-diethyl-1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-amine;7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N,N-dimethylazetidin-3-amine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound NameN,N-diethyl-1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-amine;7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N,N-dimethylazetidin-3-amine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidine
PubChem CID160952461
Molecular FormulaC115H157F5N24O12S8
Molecular Weight2419.20 g/mol
Exact Mass2417.01
IUPAC NameN,N-diethyl-1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-amine;7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N,N-dimethylazetidin-3-amine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidine
SMILESCCN(CC)C1CN(Cc2c(C)sc3c(-c4cnc(OC)c(CS(C)(=O)=O)c4)nc(N4CCCCC4)nc23)C1.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CC(N(C)C)C4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCCC5)C(F)(F)C4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC[C@H]5C(F)(F)F)CC4)c(C)sc23)cc1CS(C)(=O)=O
InChIInChI=1S/C31H41F3N6O3S2.C30H40F2N6O3S2.C28H40N6O3S2.C26H36N6O3S2/c1-20-24(18-38-14-9-23(10-15-38)40-13-7-8-25(40)31(32,33)34)27-28(44-20)26(36-30(37-27)39-11-5-4-6-12-39)21-16-22(19-45(3,41)42)29(43-2)35-17-21;1-20-23(17-36-14-9-24(30(31,32)19-36)37-10-7-8-11-37)26-27(42-20)25(34-29(35-26)38-12-5-4-6-13-38)21-15-22(18-43(3,39)40)28(41-2)33-16-21;1-6-33(7-2)22-15-32(16-22)17-23-19(3)38-26-24(30-28(31-25(23)26)34-11-9-8-10-12-34)20-13-21(18-39(5,35)36)27(37-4)29-14-20;1-17-21(15-31-13-20(14-31)30(2)3)23-24(36-17)22(28-26(29-23)32-9-7-6-8-10-32)18-11-19(16-37(5,33)34)25(35-4)27-12-18/h16-17,23,25H,4-15,18-19H2,1-3H3;15-16,24H,4-14,17-19H2,1-3H3;13-14,22H,6-12,15-18H2,1-5H3;11-12,20H,6-10,13-16H2,1-5H3/t25-;;;/m0.../s1
InChIKeySVYCOUHLLOFYEO-VWIQTUQXSA-N
XLogP17.99
TPSA367.04 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds34
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002419.20
LogP ≤ 517.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze N,N-diethyl-1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-amine;7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N,N-dimethylazetidin-3-amine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[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

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-[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-[2-methoxy-5-[2-morpholin-4-yl-7-[[5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122428091
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
4-[6-Methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-methyl-1-[4-[[4-[5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[2-piperidin-1-yl-4-[2-(trifluoromethyl)imidazol-1-yl]thieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one
CID 158380075
CID 158762367
CID 158762367
7-[[4-(Azetidin-1-yl)piperidin-1-yl]methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-[[4-(3,3-difluoroazetidin-1-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-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[(4-propan-2-yloxypiperidin-1-yl)methyl]thieno[3,2-d]pyrimidine
CID 159516714
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
CID 160117171
CID 160117171

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-amine;7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N,N-dimethylazetidin-3-amine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidine?
The IUPAC name of N,N-diethyl-1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-amine;7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N,N-dimethylazetidin-3-amine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidine (CID 160952461) is N,N-diethyl-1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-amine;7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N,N-dimethylazetidin-3-amine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for N,N-diethyl-1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-amine;7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N,N-dimethylazetidin-3-amine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidine?
The canonical SMILES for N,N-diethyl-1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-amine;7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N,N-dimethylazetidin-3-amine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidine is CCN(CC)C1CN(Cc2c(C)sc3c(-c4cnc(OC)c(CS(C)(=O)=O)c4)nc(N4CCCCC4)nc23)C1.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CC(N(C)C)C4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCCC5)C(F)(F)C4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC[C@H]5C(F)(F)F)CC4)c(C)sc23)cc1CS(C)(=O)=O.
What is the InChIKey of N,N-diethyl-1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-amine;7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N,N-dimethylazetidin-3-amine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidine?
The InChIKey is SVYCOUHLLOFYEO-VWIQTUQXSA-N. The full InChI is InChI=1S/C31H41F3N6O3S2.C30H40F2N6O3S2.C28H40N6O3S2.C26H36N6O3S2/c1-20-24(18-38-14-9-23(10-15-38)40-13-7-8-25(40)31(32,33)34)27-28(44-20)26(36-30(37-27)39-11-5-4-6-12-39)21-16-22(19-45(3,41)42)29(43-2)35-17-21;1-20-23(17-36-14-9-24(30(31,32)19-36)37-10-7-8-11-37)26-27(42-20)25(34-29(35-26)38-12-5-4-6-13-38)21-15-22(18-43(3,39)40)28(41-2)33-16-21;1-6-33(7-2)22-15-32(16-22)17-23-19(3)38-26-24(30-28(31-25(23)26)34-11-9-8-10-12-34)20-13-21(18-39(5,35)36)27(37-4)29-14-20;1-17-21(15-31-13-20(14-31)30(2)3)23-24(36-17)22(28-26(29-23)32-9-7-6-8-10-32)18-11-19(16-37(5,33)34)25(35-4)27-12-18/h16-17,23,25H,4-15,18-19H2,1-3H3;15-16,24H,4-14,17-19H2,1-3H3;13-14,22H,6-12,15-18H2,1-5H3;11-12,20H,6-10,13-16H2,1-5H3/t25-;;;/m0.../s1.
What are the key properties of N,N-diethyl-1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-amine;7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N,N-dimethylazetidin-3-amine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidine?
N,N-diethyl-1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-amine;7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N,N-dimethylazetidin-3-amine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidine has a molecular weight of 2419.20 g/mol, XLogP of 17.99, 34 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]azetidin-3-amine;7-[(3,3-difluoro-4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-N,N-dimethylazetidin-3-amine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-yl-7-[[4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]methyl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 160952461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).