7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol

C110H141N23O13S9 — CID 162092243

IUPAC7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCOc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CC5CC5C4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCN(CC(C)(C)O)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCc5sccc5C4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCn5ccnc5C4)c(C)sc23)cc1CS(C)(=O)=O
InChIInChI=1S/C29H42N6O4S2.C28H33N5O3S3.C27H33N7O3S2.C26H33N5O3S2/c1-20-23(17-33-11-13-34(14-12-33)19-29(2,3)36)25-26(40-20)24(31-28(32-25)35-9-7-6-8-10-35)21-15-22(18-41(5,37)38)27(39-4)30-16-21;1-18-22(16-32-11-7-23-19(15-32)8-12-37-23)25-26(38-18)24(30-28(31-25)33-9-5-4-6-10-33)20-13-21(17-39(3,34)35)27(36-2)29-14-20;1-18-21(15-32-11-12-33-10-7-28-22(33)16-32)24-25(38-18)23(30-27(31-24)34-8-5-4-6-9-34)19-13-20(17-39(3,35)36)26(37-2)29-14-19;1-16-21(14-30-12-18-10-19(18)13-30)23-24(35-16)22(28-26(29-23)31-7-5-4-6-8-31)17-9-20(15-36(3,32)33)25(34-2)27-11-17/h15-16,36H,6-14,17-19H2,1-5H3;8,12-14H,4-7,9-11,15-17H2,1-3H3;7,10,13-14H,4-6,8-9,11-12,15-17H2,1-3H3;9,11,18-19H,4-8,10,12-15H2,1-3H3
InChIKeyZDTSKPBDZWUSDB-UHFFFAOYSA-N
MW2282.09 g/mol
LogP16.59
Rot. Bonds30

About 7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol

7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 162092243) has the molecular formula C110H141N23O13S9 and a molecular weight of 2282.09 g/mol. Its IUPAC name is 7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID162092243
Molecular FormulaC110H141N23O13S9
Molecular Weight2282.09 g/mol
Exact Mass2279.86
IUPAC Name7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCOc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CC5CC5C4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCN(CC(C)(C)O)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCc5sccc5C4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCn5ccnc5C4)c(C)sc23)cc1CS(C)(=O)=O
InChIInChI=1S/C29H42N6O4S2.C28H33N5O3S3.C27H33N7O3S2.C26H33N5O3S2/c1-20-23(17-33-11-13-34(14-12-33)19-29(2,3)36)25-26(40-20)24(31-28(32-25)35-9-7-6-8-10-35)21-15-22(18-41(5,37)38)27(39-4)30-16-21;1-18-22(16-32-11-7-23-19(15-32)8-12-37-23)25-26(38-18)24(30-28(31-25)33-9-5-4-6-10-33)20-13-21(17-39(3,34)35)27(36-2)29-14-20;1-18-21(15-32-11-12-33-10-7-28-22(33)16-32)24-25(38-18)23(30-27(31-24)34-8-5-4-6-9-34)19-13-20(17-39(3,35)36)26(37-2)29-14-19;1-16-21(14-30-12-18-10-19(18)13-30)23-24(35-16)22(28-26(29-23)31-7-5-4-6-8-31)17-9-20(15-36(3,32)33)25(34-2)27-11-17/h15-16,36H,6-14,17-19H2,1-5H3;8,12-14H,4-7,9-11,15-17H2,1-3H3;7,10,13-14H,4-6,8-9,11-12,15-17H2,1-3H3;9,11,18-19H,4-8,10,12-15H2,1-3H3
InChIKeyZDTSKPBDZWUSDB-UHFFFAOYSA-N
XLogP16.59
TPSA395.37 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds30
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002282.09
LogP ≤ 516.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Analyze 7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 122428065
N-[5-[7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122428070
N-[5-[7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122428074
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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 122428489
N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
CID 122432382
N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
CID 122432398
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-[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
6-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;4-ethylsulfanyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[2,3-c]pyridine;2-[3-ethylsulfanyl-5-(2-methylprop-2-enoxy)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;5-ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol;5-ethylsulfanyl-4-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol;5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol;6-ethylsulfonyl-2,2-dimethyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3H-furo[3,2-b]pyridine;methane;2-methylprop-2-en-1-ol
CID 159258684
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
2-[1-[[4-[6-Chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-[1-[[4-[5-(1,1-difluoroethylsulfonylmethyl)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-1-ol;[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]methanol
CID 160592252

Frequently Asked Questions

What is the IUPAC name of 7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol (CID 162092243) is 7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol is COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CC5CC5C4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCN(CC(C)(C)O)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCc5sccc5C4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCn5ccnc5C4)c(C)sc23)cc1CS(C)(=O)=O.
What is the InChIKey of 7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is ZDTSKPBDZWUSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N6O4S2.C28H33N5O3S3.C27H33N7O3S2.C26H33N5O3S2/c1-20-23(17-33-11-13-34(14-12-33)19-29(2,3)36)25-26(40-20)24(31-28(32-25)35-9-7-6-8-10-35)21-15-22(18-41(5,37)38)27(39-4)30-16-21;1-18-22(16-32-11-7-23-19(15-32)8-12-37-23)25-26(38-18)24(30-28(31-25)33-9-5-4-6-10-33)20-13-21(17-39(3,34)35)27(36-2)29-14-20;1-18-21(15-32-11-12-33-10-7-28-22(33)16-32)24-25(38-18)23(30-27(31-24)34-8-5-4-6-9-34)19-13-20(17-39(3,35)36)26(37-2)29-14-19;1-16-21(14-30-12-18-10-19(18)13-30)23-24(35-16)22(28-26(29-23)31-7-5-4-6-8-31)17-9-20(15-36(3,32)33)25(34-2)27-11-17/h15-16,36H,6-14,17-19H2,1-5H3;8,12-14H,4-7,9-11,15-17H2,1-3H3;7,10,13-14H,4-6,8-9,11-12,15-17H2,1-3H3;9,11,18-19H,4-8,10,12-15H2,1-3H3.
What are the key properties of 7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol?
7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 2282.09 g/mol, XLogP of 16.59, 30 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 162092243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).