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

C118H163F2N23O13S8 — CID 159516714

IUPAC7-[[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
SMILESCOc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CC(F)(F)C5)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC5)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCCCC5)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(OC(C)C)CC4)c(C)sc23)cc1CS(C)(=O)=O
InChIInChI=1S/C31H44N6O3S2.C29H38F2N6O3S2.C29H40N6O3S2.C29H41N5O4S2/c1-22-26(20-35-16-10-25(11-17-35)36-12-6-4-7-13-36)28-29(41-22)27(33-31(34-28)37-14-8-5-9-15-37)23-18-24(21-42(3,38)39)30(40-2)32-19-23;1-19-23(15-35-11-7-22(8-12-35)37-17-29(30,31)18-37)25-26(41-19)24(33-28(34-25)36-9-5-4-6-10-36)20-13-21(16-42(3,38)39)27(40-2)32-14-20;1-20-24(18-33-14-8-23(9-15-33)34-12-7-13-34)26-27(39-20)25(31-29(32-26)35-10-5-4-6-11-35)21-16-22(19-40(3,36)37)28(38-2)30-17-21;1-19(2)38-23-9-13-33(14-10-23)17-24-20(3)39-27-25(31-29(32-26(24)27)34-11-7-6-8-12-34)21-15-22(18-40(5,35)36)28(37-4)30-16-21/h18-19,25H,4-17,20-21H2,1-3H3;13-14,22H,4-12,15-18H2,1-3H3;16-17,23H,4-15,18-19H2,1-3H3;15-16,19,23H,6-14,17-18H2,1-5H3
InChIKeyMBHFPRWADPTSNJ-UHFFFAOYSA-N
MW2406.28 g/mol
LogP18.85
Rot. Bonds33

About 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

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 (PubChem CID 159516714) has the molecular formula C118H163F2N23O13S8 and a molecular weight of 2406.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[[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
PubChem CID159516714
Molecular FormulaC118H163F2N23O13S8
Molecular Weight2406.28 g/mol
Exact Mass2404.05
IUPAC Name7-[[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
SMILESCOc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CC(F)(F)C5)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC5)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCCCC5)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(OC(C)C)CC4)c(C)sc23)cc1CS(C)(=O)=O
InChIInChI=1S/C31H44N6O3S2.C29H38F2N6O3S2.C29H40N6O3S2.C29H41N5O4S2/c1-22-26(20-35-16-10-25(11-17-35)36-12-6-4-7-13-36)28-29(41-22)27(33-31(34-28)37-14-8-5-9-15-37)23-18-24(21-42(3,38)39)30(40-2)32-19-23;1-19-23(15-35-11-7-22(8-12-35)37-17-29(30,31)18-37)25-26(41-19)24(33-28(34-25)36-9-5-4-6-10-36)20-13-21(16-42(3,38)39)27(40-2)32-14-20;1-20-24(18-33-14-8-23(9-15-33)34-12-7-13-34)26-27(39-20)25(31-29(32-26)35-10-5-4-6-11-35)21-16-22(19-40(3,36)37)28(38-2)30-17-21;1-19(2)38-23-9-13-33(14-10-23)17-24-20(3)39-27-25(31-29(32-26(24)27)34-11-7-6-8-12-34)21-15-22(18-40(5,35)36)28(37-4)30-16-21/h18-19,25H,4-17,20-21H2,1-3H3;13-14,22H,4-12,15-18H2,1-3H3;16-17,23H,4-15,18-19H2,1-3H3;15-16,19,23H,6-14,17-18H2,1-5H3
InChIKeyMBHFPRWADPTSNJ-UHFFFAOYSA-N
XLogP18.85
TPSA373.03 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds33
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002406.28
LogP ≤ 518.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 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 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-[[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
N-[5-[7-[[4-(2,6-dimethyloxan-4-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122428167
N-[5-[7-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122428505
4-[7-[[4-(3,3-Difluoroazetidin-1-yl)piperidin-1-yl]methyl]-4-(6-methoxy-5-methylpyridin-3-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine
CID 135295453
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CC(F)(F)C5)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC5)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCCCC5)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(OC(C)C)CC4)c(C)sc23)cc1CS(C)(=O)=O.
What is the InChIKey of 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?
The InChIKey is MBHFPRWADPTSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N6O3S2.C29H38F2N6O3S2.C29H40N6O3S2.C29H41N5O4S2/c1-22-26(20-35-16-10-25(11-17-35)36-12-6-4-7-13-36)28-29(41-22)27(33-31(34-28)37-14-8-5-9-15-37)23-18-24(21-42(3,38)39)30(40-2)32-19-23;1-19-23(15-35-11-7-22(8-12-35)37-17-29(30,31)18-37)25-26(41-19)24(33-28(34-25)36-9-5-4-6-10-36)20-13-21(16-42(3,38)39)27(40-2)32-14-20;1-20-24(18-33-14-8-23(9-15-33)34-12-7-13-34)26-27(39-20)25(31-29(32-26)35-10-5-4-6-11-35)21-16-22(19-40(3,36)37)28(38-2)30-17-21;1-19(2)38-23-9-13-33(14-10-23)17-24-20(3)39-27-25(31-29(32-26(24)27)34-11-7-6-8-12-34)21-15-22(18-40(5,35)36)28(37-4)30-16-21/h18-19,25H,4-17,20-21H2,1-3H3;13-14,22H,4-12,15-18H2,1-3H3;16-17,23H,4-15,18-19H2,1-3H3;15-16,19,23H,6-14,17-18H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 2406.28 g/mol, XLogP of 18.85, 33 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159516714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).