7-[[4-(4-fluoropiperidin-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-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;[(2S)-1-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]pyrrolidin-2-yl]methanol

C124H175FN24O13S8 — CID 159212145

IUPAC7-[[4-(4-fluoropiperidin-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-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;[(2S)-1-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCOc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC(F)CC5)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC[C@@H]5C)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC[C@H]5C)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC[C@H]5CO)CC4)c(C)sc23)cc1CS(C)(=O)=O
InChIInChI=1S/C31H43FN6O3S2.C31H44N6O4S2.2C31H44N6O3S2/c1-21-26(19-36-13-9-25(10-14-36)37-15-7-24(32)8-16-37)28-29(42-21)27(34-31(35-28)38-11-5-4-6-12-38)22-17-23(20-43(3,39)40)30(41-2)33-18-22;1-21-26(18-35-14-9-24(10-15-35)37-13-7-8-25(37)19-38)28-29(42-21)27(33-31(34-28)36-11-5-4-6-12-36)22-16-23(20-43(3,39)40)30(41-2)32-17-22;2*1-21-9-8-14-37(21)25-10-15-35(16-11-25)19-26-22(2)41-29-27(33-31(34-28(26)29)36-12-6-5-7-13-36)23-17-24(20-42(4,38)39)30(40-3)32-18-23/h17-18,24-25H,4-16,19-20H2,1-3H3;16-17,24-25,38H,4-15,18-20H2,1-3H3;2*17-18,21,25H,5-16,19-20H2,1-4H3/t;25-;2*21-/m.010/s1
InChIKeyKQPVCRHFJTUIFD-GICDKCSGSA-N
MW2485.45 g/mol
LogP19.14
Rot. Bonds33

About 7-[[4-(4-fluoropiperidin-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-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;[(2S)-1-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]pyrrolidin-2-yl]methanol

7-[[4-(4-fluoropiperidin-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-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;[(2S)-1-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 159212145) has the molecular formula C124H175FN24O13S8 and a molecular weight of 2485.45 g/mol. Its IUPAC name is 7-[[4-(4-fluoropiperidin-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-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;[(2S)-1-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name7-[[4-(4-fluoropiperidin-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-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;[(2S)-1-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID159212145
Molecular FormulaC124H175FN24O13S8
Molecular Weight2485.45 g/mol
Exact Mass2483.15
IUPAC Name7-[[4-(4-fluoropiperidin-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-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;[(2S)-1-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCOc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC(F)CC5)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC[C@@H]5C)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC[C@H]5C)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC[C@H]5CO)CC4)c(C)sc23)cc1CS(C)(=O)=O
InChIInChI=1S/C31H43FN6O3S2.C31H44N6O4S2.2C31H44N6O3S2/c1-21-26(19-36-13-9-25(10-14-36)37-15-7-24(32)8-16-37)28-29(42-21)27(34-31(35-28)38-11-5-4-6-12-38)22-17-23(20-43(3,39)40)30(41-2)33-18-22;1-21-26(18-35-14-9-24(10-15-35)37-13-7-8-25(37)19-38)28-29(42-21)27(33-31(34-28)36-11-5-4-6-12-36)22-16-23(20-43(3,39)40)30(41-2)32-17-22;2*1-21-9-8-14-37(21)25-10-15-35(16-11-25)19-26-22(2)41-29-27(33-31(34-28(26)29)36-12-6-5-7-13-36)23-17-24(20-42(4,38)39)30(40-3)32-18-23/h17-18,24-25H,4-16,19-20H2,1-3H3;16-17,24-25,38H,4-15,18-20H2,1-3H3;2*17-18,21,25H,5-16,19-20H2,1-4H3/t;25-;2*21-/m.010/s1
InChIKeyKQPVCRHFJTUIFD-GICDKCSGSA-N
XLogP19.14
TPSA387.27 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds33
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002485.45
LogP ≤ 519.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Analyze 7-[[4-(4-fluoropiperidin-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-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;[(2S)-1-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]pyrrolidin-2-yl]methanol 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-[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-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122427970
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122427973
N-[2-methoxy-5-[6-methyl-7-[[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122427977
N-[2-methoxy-5-[7-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122428062
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-[2-methoxy-5-[6-methyl-7-[[3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122428564
N-[2-methoxy-5-[6-methyl-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122432349
N-[2-methoxy-5-[6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122432350
N-[2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide
CID 122432356

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-fluoropiperidin-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-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;[(2S)-1-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of 7-[[4-(4-fluoropiperidin-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-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;[(2S)-1-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]pyrrolidin-2-yl]methanol (CID 159212145) is 7-[[4-(4-fluoropiperidin-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-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;[(2S)-1-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for 7-[[4-(4-fluoropiperidin-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-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;[(2S)-1-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for 7-[[4-(4-fluoropiperidin-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-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;[(2S)-1-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]pyrrolidin-2-yl]methanol is COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC(F)CC5)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC[C@@H]5C)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC[C@H]5C)CC4)c(C)sc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCC[C@H]5CO)CC4)c(C)sc23)cc1CS(C)(=O)=O.
What is the InChIKey of 7-[[4-(4-fluoropiperidin-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-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;[(2S)-1-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is KQPVCRHFJTUIFD-GICDKCSGSA-N. The full InChI is InChI=1S/C31H43FN6O3S2.C31H44N6O4S2.2C31H44N6O3S2/c1-21-26(19-36-13-9-25(10-14-36)37-15-7-24(32)8-16-37)28-29(42-21)27(34-31(35-28)38-11-5-4-6-12-38)22-17-23(20-43(3,39)40)30(41-2)33-18-22;1-21-26(18-35-14-9-24(10-15-35)37-13-7-8-25(37)19-38)28-29(42-21)27(33-31(34-28)36-11-5-4-6-12-36)22-16-23(20-43(3,39)40)30(41-2)32-17-22;2*1-21-9-8-14-37(21)25-10-15-35(16-11-25)19-26-22(2)41-29-27(33-31(34-28(26)29)36-12-6-5-7-13-36)23-17-24(20-42(4,38)39)30(40-3)32-18-23/h17-18,24-25H,4-16,19-20H2,1-3H3;16-17,24-25,38H,4-15,18-20H2,1-3H3;2*17-18,21,25H,5-16,19-20H2,1-4H3/t;25-;2*21-/m.010/s1.
What are the key properties of 7-[[4-(4-fluoropiperidin-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-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;[(2S)-1-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]pyrrolidin-2-yl]methanol?
7-[[4-(4-fluoropiperidin-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-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;[(2S)-1-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 2485.45 g/mol, XLogP of 19.14, 33 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-fluoropiperidin-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-7-[[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-7-[[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;[(2S)-1-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 159212145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).