4-[[2-[[1-(2-methyl-4-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

C126H134N38O6S6 — CID 161428946

IUPAC4-[[2-[[1-(2-methyl-4-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1cc(-n2cc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cn2)ccn1.Cc1cncc(-n2cc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cn2)c1.OC1CCC(Nc2nc(Cc3cnn(-c4ccccn4)c3)nc3ccsc23)CC1.OC1CCC(Nc2nc(Cc3cnn(-c4ccncc4)c3)nc3ccsc23)CC1.OC1CCC(Nc2nc(Cc3cnn(-c4ccncn4)c3)nc3ccsc23)CC1.OC1CCC(Nc2nc(Cc3cnn(-c4cncnc4)c3)nc3ccsc23)CC1
InChIInChI=1S/2C22H24N6OS.2C21H22N6OS.2C20H21N7OS/c1-14-10-17(6-8-23-14)28-13-15(12-24-28)11-20-26-19-7-9-30-21(19)22(27-20)25-16-2-4-18(29)5-3-16;1-14-8-17(12-23-10-14)28-13-15(11-24-28)9-20-26-19-6-7-30-21(19)22(27-20)25-16-2-4-18(29)5-3-16;28-17-3-1-15(2-4-17)24-21-20-18(7-10-29-20)25-19(26-21)11-14-12-23-27(13-14)16-5-8-22-9-6-16;28-16-6-4-15(5-7-16)24-21-20-17(8-10-29-20)25-18(26-21)11-14-12-23-27(13-14)19-3-1-2-9-22-19;28-15-3-1-14(2-4-15)24-20-19-16(6-8-29-19)25-17(26-20)9-13-10-23-27(11-13)18-5-7-21-12-22-18;28-16-3-1-14(2-4-16)24-20-19-17(5-6-29-19)25-18(26-20)7-13-8-23-27(11-13)15-9-21-12-22-10-15/h6-10,12-13,16,18,29H,2-5,11H2,1H3,(H,25,26,27);6-8,10-13,16,18,29H,2-5,9H2,1H3,(H,25,26,27);5-10,12-13,15,17,28H,1-4,11H2,(H,24,25,26);1-3,8-10,12-13,15-16,28H,4-7,11H2,(H,24,25,26);5-8,10-12,14-15,28H,1-4,9H2,(H,24,25,26);5-6,8-12,14,16,28H,1-4,7H2,(H,24,25,26)
InChIKeyVXTCHWJLDIDWGQ-UHFFFAOYSA-N
MW2469.12 g/mol
LogP20.88
Rot. Bonds30

About 4-[[2-[[1-(2-methyl-4-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-[[1-(2-methyl-4-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 161428946) has the molecular formula C126H134N38O6S6 and a molecular weight of 2469.12 g/mol. Its IUPAC name is 4-[[2-[[1-(2-methyl-4-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[[1-(2-methyl-4-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID161428946
Molecular FormulaC126H134N38O6S6
Molecular Weight2469.12 g/mol
Exact Mass2466.97
IUPAC Name4-[[2-[[1-(2-methyl-4-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1cc(-n2cc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cn2)ccn1.Cc1cncc(-n2cc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cn2)c1.OC1CCC(Nc2nc(Cc3cnn(-c4ccccn4)c3)nc3ccsc23)CC1.OC1CCC(Nc2nc(Cc3cnn(-c4ccncc4)c3)nc3ccsc23)CC1.OC1CCC(Nc2nc(Cc3cnn(-c4ccncn4)c3)nc3ccsc23)CC1.OC1CCC(Nc2nc(Cc3cnn(-c4cncnc4)c3)nc3ccsc23)CC1
InChIInChI=1S/2C22H24N6OS.2C21H22N6OS.2C20H21N7OS/c1-14-10-17(6-8-23-14)28-13-15(12-24-28)11-20-26-19-7-9-30-21(19)22(27-20)25-16-2-4-18(29)5-3-16;1-14-8-17(12-23-10-14)28-13-15(11-24-28)9-20-26-19-6-7-30-21(19)22(27-20)25-16-2-4-18(29)5-3-16;28-17-3-1-15(2-4-17)24-21-20-18(7-10-29-20)25-19(26-21)11-14-12-23-27(13-14)16-5-8-22-9-6-16;28-16-6-4-15(5-7-16)24-21-20-17(8-10-29-20)25-18(26-21)11-14-12-23-27(13-14)19-3-1-2-9-22-19;28-15-3-1-14(2-4-15)24-20-19-16(6-8-29-19)25-17(26-20)9-13-10-23-27(11-13)18-5-7-21-12-22-18;28-16-3-1-14(2-4-16)24-20-19-17(5-6-29-19)25-18(26-20)7-13-8-23-27(11-13)15-9-21-12-22-10-15/h6-10,12-13,16,18,29H,2-5,11H2,1H3,(H,25,26,27);6-8,10-13,16,18,29H,2-5,9H2,1H3,(H,25,26,27);5-10,12-13,15,17,28H,1-4,11H2,(H,24,25,26);1-3,8-10,12-13,15-16,28H,4-7,11H2,(H,24,25,26);5-8,10-12,14-15,28H,1-4,9H2,(H,24,25,26);5-6,8-12,14,16,28H,1-4,7H2,(H,24,25,26)
InChIKeyVXTCHWJLDIDWGQ-UHFFFAOYSA-N
XLogP20.88
TPSA558.28 Ų
H-Bond Donors12
H-Bond Acceptors50
Rotatable Bonds30
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002469.12
LogP ≤ 520.88
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1050

Analyze 4-[[2-[[1-(2-methyl-4-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[[2-[(1-Pyrimidin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 135128174
4-[[2-[[1-(5-Methyl-3-pyridinyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 135128175
4-[[2-[[1-[4-[2-[4-[(4-Hydroxycyclohexyl)amino]-2-[[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-6-yl]morpholin-4-yl]phenyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 135128274
[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-7-methylthieno[3,2-d]pyrimidin-4-yl]amino]-1-phenylimidazol-2-yl]-[(2S)-1-[4-[(1-pyridin-3-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
CID 142498467
trans-(1R,4R)-2-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]-[1-(2-methyl-3-pyridinyl)pyrazol-4-yl]amino]-4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 145256389
4-[[2-[[1-(5-Methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 148595143
4-[[2-[(1-Pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 148824844
N-(3,4-dimethylphenyl)-3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;N-methyl-3-(7-methyl-1-benzothiophen-2-yl)-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;4-[methyl-[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol
CID 157354008
(2S)-3-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol;(2R)-3-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol;(2S)-3-[[8-propan-2-yl-4-[(4-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol;(2R)-3-[[8-propan-2-yl-4-[(4-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol;(2S)-3-[[8-propan-2-yl-4-[(4-thiophen-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol;(2R)-3-[[8-propan-2-yl-4-[(4-thiophen-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol
CID 157354584
4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(5,6-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]-methylamino]cyclohexan-1-ol;3-(5,6-dimethyl-1-benzothiophen-2-yl)-N-methyl-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 157437840
3-(1-benzothiophen-2-yl)-N-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;3-(7-methyl-1-benzothiophen-2-yl)-N-(4-methylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine;N-(4-methylcyclohexyl)-3-(5-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(4-methylcyclohexyl)-3-(7-methyl-1H-indol-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[(3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol
CID 157521413
sodium;deuterio(fluoro)methane;hydride;iodomethane;N-methyl-N-(4-methylcyclohexyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine;4-[methyl-[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;4-[[3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 157659237

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[1-(2-methyl-4-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[[1-(2-methyl-4-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 161428946) is 4-[[2-[[1-(2-methyl-4-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[[1-(2-methyl-4-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[[1-(2-methyl-4-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is Cc1cc(-n2cc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cn2)ccn1.Cc1cncc(-n2cc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cn2)c1.OC1CCC(Nc2nc(Cc3cnn(-c4ccccn4)c3)nc3ccsc23)CC1.OC1CCC(Nc2nc(Cc3cnn(-c4ccncc4)c3)nc3ccsc23)CC1.OC1CCC(Nc2nc(Cc3cnn(-c4ccncn4)c3)nc3ccsc23)CC1.OC1CCC(Nc2nc(Cc3cnn(-c4cncnc4)c3)nc3ccsc23)CC1.
What is the InChIKey of 4-[[2-[[1-(2-methyl-4-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is VXTCHWJLDIDWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H24N6OS.2C21H22N6OS.2C20H21N7OS/c1-14-10-17(6-8-23-14)28-13-15(12-24-28)11-20-26-19-7-9-30-21(19)22(27-20)25-16-2-4-18(29)5-3-16;1-14-8-17(12-23-10-14)28-13-15(11-24-28)9-20-26-19-6-7-30-21(19)22(27-20)25-16-2-4-18(29)5-3-16;28-17-3-1-15(2-4-17)24-21-20-18(7-10-29-20)25-19(26-21)11-14-12-23-27(13-14)16-5-8-22-9-6-16;28-16-6-4-15(5-7-16)24-21-20-17(8-10-29-20)25-18(26-21)11-14-12-23-27(13-14)19-3-1-2-9-22-19;28-15-3-1-14(2-4-15)24-20-19-16(6-8-29-19)25-17(26-20)9-13-10-23-27(11-13)18-5-7-21-12-22-18;28-16-3-1-14(2-4-16)24-20-19-17(5-6-29-19)25-18(26-20)7-13-8-23-27(11-13)15-9-21-12-22-10-15/h6-10,12-13,16,18,29H,2-5,11H2,1H3,(H,25,26,27);6-8,10-13,16,18,29H,2-5,9H2,1H3,(H,25,26,27);5-10,12-13,15,17,28H,1-4,11H2,(H,24,25,26);1-3,8-10,12-13,15-16,28H,4-7,11H2,(H,24,25,26);5-8,10-12,14-15,28H,1-4,9H2,(H,24,25,26);5-6,8-12,14,16,28H,1-4,7H2,(H,24,25,26).
What are the key properties of 4-[[2-[[1-(2-methyl-4-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-[[1-(2-methyl-4-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 2469.12 g/mol, XLogP of 20.88, 30 rotatable bonds, 12 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[1-(2-methyl-4-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[1-(5-methyl-3-pyridinyl)pyrazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyridin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-4-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[(1-pyrimidin-5-ylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 161428946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).