1-[(3R)-3-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one

C141H175N51O11S7 — CID 159675833

IUPAC1-[(3R)-3-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H](Nc2nc(Nc3cnn(C(C)C)c3)nc3ccsc23)C1.C=CC(=O)N1CCC[C@@H](Nc2nc(Nc3cnn(CC)c3)nc3ccsc23)C1.C=CC(=O)N1CC[C@@H](Nc2nc(Nc3cnn(C4CCOCC4)c3)nc3ccsc23)C1.C=CC(=O)N1CC[C@@H](Nc2nc(Nc3cnn(CCCOC)c3)nc3ccsc23)C1.C=CC(=O)N1CC[C@@H](Nc2nc(Nc3cnn(CCN(C)C)c3)nc3ccsc23)C1.C=CC(=O)N1CC[C@@H](Nc2nc(Nc3cnn(CCN4CCOCC4)c3)nc3ccsc23)C1.C=CC(=O)N1CC[C@@H](Nc2nc(Nc3cnn(CCOC)c3)nc3ccsc23)C1
InChIInChI=1S/C22H28N8O2S.C21H25N7O2S.C20H26N8OS.C20H25N7O2S.C20H25N7OS.C19H23N7O2S.C19H23N7OS/c1-2-19(31)29-5-3-16(14-29)24-21-20-18(4-12-33-20)26-22(27-21)25-17-13-23-30(15-17)7-6-28-8-10-32-11-9-28;1-2-18(29)27-7-3-14(12-27)23-20-19-17(6-10-31-19)25-21(26-20)24-15-11-22-28(13-15)16-4-8-30-9-5-16;1-4-17(29)27-7-5-14(12-27)22-19-18-16(6-10-30-18)24-20(25-19)23-15-11-21-28(13-15)9-8-26(2)3;1-3-17(28)26-8-5-14(12-26)22-19-18-16(6-10-30-18)24-20(25-19)23-15-11-21-27(13-15)7-4-9-29-2;1-4-17(28)26-8-5-6-14(11-26)22-19-18-16(7-9-29-18)24-20(25-19)23-15-10-21-27(12-15)13(2)3;1-3-16(27)25-6-4-13(11-25)21-18-17-15(5-9-29-17)23-19(24-18)22-14-10-20-26(12-14)7-8-28-2;1-3-16(27)25-8-5-6-13(11-25)21-18-17-15(7-9-28-17)23-19(24-18)22-14-10-20-26(4-2)12-14/h2,4,12-13,15-16H,1,3,5-11,14H2,(H2,24,25,26,27);2,6,10-11,13-14,16H,1,3-5,7-9,12H2,(H2,23,24,25,26);4,6,10-11,13-14H,1,5,7-9,12H2,2-3H3,(H2,22,23,24,25);3,6,10-11,13-14H,1,4-5,7-9,12H2,2H3,(H2,22,23,24,25);4,7,9-10,12-14H,1,5-6,8,11H2,2-3H3,(H2,22,23,24,25);3,5,9-10,12-13H,1,4,6-8,11H2,2H3,(H2,21,22,23,24);3,7,9-10,12-13H,1,4-6,8,11H2,2H3,(H2,21,22,23,24)/t16-;4*14-;2*13-/m1111111/s1
InChIKeyMUOWMCYTZTZMRH-UNMZCULKSA-N
MW2984.77 g/mol
LogP20.12
Rot. Bonds51

About 1-[(3R)-3-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one

1-[(3R)-3-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one (PubChem CID 159675833) has the molecular formula C141H175N51O11S7 and a molecular weight of 2984.77 g/mol. Its IUPAC name is 1-[(3R)-3-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
PubChem CID159675833
Molecular FormulaC141H175N51O11S7
Molecular Weight2984.77 g/mol
Exact Mass2982.27
IUPAC Name1-[(3R)-3-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H](Nc2nc(Nc3cnn(C(C)C)c3)nc3ccsc23)C1.C=CC(=O)N1CCC[C@@H](Nc2nc(Nc3cnn(CC)c3)nc3ccsc23)C1.C=CC(=O)N1CC[C@@H](Nc2nc(Nc3cnn(C4CCOCC4)c3)nc3ccsc23)C1.C=CC(=O)N1CC[C@@H](Nc2nc(Nc3cnn(CCCOC)c3)nc3ccsc23)C1.C=CC(=O)N1CC[C@@H](Nc2nc(Nc3cnn(CCN(C)C)c3)nc3ccsc23)C1.C=CC(=O)N1CC[C@@H](Nc2nc(Nc3cnn(CCN4CCOCC4)c3)nc3ccsc23)C1.C=CC(=O)N1CC[C@@H](Nc2nc(Nc3cnn(CCOC)c3)nc3ccsc23)C1
InChIInChI=1S/C22H28N8O2S.C21H25N7O2S.C20H26N8OS.C20H25N7O2S.C20H25N7OS.C19H23N7O2S.C19H23N7OS/c1-2-19(31)29-5-3-16(14-29)24-21-20-18(4-12-33-20)26-22(27-21)25-17-13-23-30(15-17)7-6-28-8-10-32-11-9-28;1-2-18(29)27-7-3-14(12-27)23-20-19-17(6-10-31-19)25-21(26-20)24-15-11-22-28(13-15)16-4-8-30-9-5-16;1-4-17(29)27-7-5-14(12-27)22-19-18-16(6-10-30-18)24-20(25-19)23-15-11-21-28(13-15)9-8-26(2)3;1-3-17(28)26-8-5-14(12-26)22-19-18-16(6-10-30-18)24-20(25-19)23-15-11-21-27(13-15)7-4-9-29-2;1-4-17(28)26-8-5-6-14(11-26)22-19-18-16(7-9-29-18)24-20(25-19)23-15-10-21-27(12-15)13(2)3;1-3-16(27)25-6-4-13(11-25)21-18-17-15(5-9-29-17)23-19(24-18)22-14-10-20-26(12-14)7-8-28-2;1-3-16(27)25-8-5-6-13(11-25)21-18-17-15(7-9-28-17)23-19(24-18)22-14-10-20-26(4-2)12-14/h2,4,12-13,15-16H,1,3,5-11,14H2,(H2,24,25,26,27);2,6,10-11,13-14,16H,1,3-5,7-9,12H2,(H2,23,24,25,26);4,6,10-11,13-14H,1,5,7-9,12H2,2-3H3,(H2,22,23,24,25);3,6,10-11,13-14H,1,4-5,7-9,12H2,2H3,(H2,22,23,24,25);4,7,9-10,12-14H,1,5-6,8,11H2,2-3H3,(H2,22,23,24,25);3,5,9-10,12-13H,1,4,6-8,11H2,2H3,(H2,21,22,23,24);3,7,9-10,12-13H,1,4-6,8,11H2,2H3,(H2,21,22,23,24)/t16-;4*14-;2*13-/m1111111/s1
InChIKeyMUOWMCYTZTZMRH-UNMZCULKSA-N
XLogP20.12
TPSA659.19 Ų
H-Bond Donors14
H-Bond Acceptors62
Rotatable Bonds51
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002984.77
LogP ≤ 520.12
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1062

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(3R)-3-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 122470513
1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 122470519
1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 122470525
1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 122470536
1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 122470537
N-[4-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]prop-2-enamide
CID 122483325
N,N-dimethyl-5-[[4-[[2-[[4-[methyl(oxan-4-yl)amino]-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-(3-methyl-1,2-thiazol-5-yl)amino]oxan-4-yl]amino]-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-3-carboxamide
CID 145257090
6-[6-[4-[2-[(2S)-2-[[6-[6-(2,6-dimethylmorpholin-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-oxo-4H-thieno[3,2-b]pyridin-7-yl]amino]-2-pyrimidin-2-ylethoxy]ethyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one
CID 154966515
N-methyl-2-[5-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-yl]acetamide;1-methyl-3-[4-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-yl]urea;4-[6-morpholin-4-yl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 157591572
2-[3-[4-[2-[(1-Acetylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-(2-hydroxyacetyl)-3-[4-[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[4-[4-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]pyrazol-1-yl]oxan-4-yl]acetonitrile
CID 157978242
1-[3-[[[2-[(1-acetylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-cyclobutylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 158026105
1-[3-[[[2-[(1-Acetylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-cyclobutylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[(1-cyclopentylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one;1-[3-[[[2-[[1-(methoxymethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]methyl]azetidin-1-yl]prop-2-en-1-one
CID 158112571

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(3R)-3-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one (CID 159675833) is 1-[(3R)-3-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(3R)-3-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(3R)-3-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC[C@@H](Nc2nc(Nc3cnn(C(C)C)c3)nc3ccsc23)C1.C=CC(=O)N1CCC[C@@H](Nc2nc(Nc3cnn(CC)c3)nc3ccsc23)C1.C=CC(=O)N1CC[C@@H](Nc2nc(Nc3cnn(C4CCOCC4)c3)nc3ccsc23)C1.C=CC(=O)N1CC[C@@H](Nc2nc(Nc3cnn(CCCOC)c3)nc3ccsc23)C1.C=CC(=O)N1CC[C@@H](Nc2nc(Nc3cnn(CCN(C)C)c3)nc3ccsc23)C1.C=CC(=O)N1CC[C@@H](Nc2nc(Nc3cnn(CCN4CCOCC4)c3)nc3ccsc23)C1.C=CC(=O)N1CC[C@@H](Nc2nc(Nc3cnn(CCOC)c3)nc3ccsc23)C1.
What is the InChIKey of 1-[(3R)-3-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is MUOWMCYTZTZMRH-UNMZCULKSA-N. The full InChI is InChI=1S/C22H28N8O2S.C21H25N7O2S.C20H26N8OS.C20H25N7O2S.C20H25N7OS.C19H23N7O2S.C19H23N7OS/c1-2-19(31)29-5-3-16(14-29)24-21-20-18(4-12-33-20)26-22(27-21)25-17-13-23-30(15-17)7-6-28-8-10-32-11-9-28;1-2-18(29)27-7-3-14(12-27)23-20-19-17(6-10-31-19)25-21(26-20)24-15-11-22-28(13-15)16-4-8-30-9-5-16;1-4-17(29)27-7-5-14(12-27)22-19-18-16(6-10-30-18)24-20(25-19)23-15-11-21-28(13-15)9-8-26(2)3;1-3-17(28)26-8-5-14(12-26)22-19-18-16(6-10-30-18)24-20(25-19)23-15-11-21-27(13-15)7-4-9-29-2;1-4-17(28)26-8-5-6-14(11-26)22-19-18-16(7-9-29-18)24-20(25-19)23-15-10-21-27(12-15)13(2)3;1-3-16(27)25-6-4-13(11-25)21-18-17-15(5-9-29-17)23-19(24-18)22-14-10-20-26(12-14)7-8-28-2;1-3-16(27)25-8-5-6-13(11-25)21-18-17-15(7-9-28-17)23-19(24-18)22-14-10-20-26(4-2)12-14/h2,4,12-13,15-16H,1,3,5-11,14H2,(H2,24,25,26,27);2,6,10-11,13-14,16H,1,3-5,7-9,12H2,(H2,23,24,25,26);4,6,10-11,13-14H,1,5,7-9,12H2,2-3H3,(H2,22,23,24,25);3,6,10-11,13-14H,1,4-5,7-9,12H2,2H3,(H2,22,23,24,25);4,7,9-10,12-14H,1,5-6,8,11H2,2-3H3,(H2,22,23,24,25);3,5,9-10,12-13H,1,4,6-8,11H2,2H3,(H2,21,22,23,24);3,7,9-10,12-13H,1,4-6,8,11H2,2H3,(H2,21,22,23,24)/t16-;4*14-;2*13-/m1111111/s1.
What are the key properties of 1-[(3R)-3-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one?
1-[(3R)-3-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 2984.77 g/mol, XLogP of 20.12, 51 rotatable bonds, 14 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-ethylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(3-methoxypropyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 159675833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).