3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide

C189H167F9N42O12S7 — CID 158684191

IUPAC3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(Nc6ccccn6)sc5n4)c3)cc2C(F)(F)F)CC1.CCOC(=O)c1cccc(-c2ccc3nc(NC4CC4)sc3n2)c1.Cc1nc(Nc2nc3ccc(-c4cccc(C(=O)Nc5cccc(C(F)(F)F)c5)c4)nc3s2)cc(N2CCN(CCO)CC2)n1.O=C(Nc1ccc(-n2ccnc2)cc1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.O=C(Nc1ccc(C2=NCC=C2)cc1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.O=C(Nc1ccc(C2=NCN=N2)cc1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1
InChIInChI=1S/C32H30F3N7OS.C31H29F3N8O2S.C30H31F3N6OS.C27H21N5O2S.C26H20N6O2S.C25H19N7O2S.C18H17N3O2S/c1-2-41-14-16-42(17-15-41)20-23-9-10-24(19-25(23)32(33,34)35)37-29(43)22-7-5-6-21(18-22)26-11-12-27-30(38-26)44-31(39-27)40-28-8-3-4-13-36-28;1-19-35-26(18-27(36-19)42-12-10-41(11-13-42)14-15-43)40-30-39-25-9-8-24(38-29(25)45-30)20-4-2-5-21(16-20)28(44)37-23-7-3-6-22(17-23)31(32,33)34;1-2-38-12-14-39(15-13-38)18-21-6-7-23(17-24(21)30(31,32)33)34-27(40)20-5-3-4-19(16-20)25-10-11-26-28(36-25)41-29(37-26)35-22-8-9-22;33-24(17-6-7-17)32-27-31-23-13-12-22(30-26(23)35-27)18-3-1-4-19(15-18)25(34)29-20-10-8-16(9-11-20)21-5-2-14-28-21;33-23(16-4-5-16)31-26-30-22-11-10-21(29-25(22)35-26)17-2-1-3-18(14-17)24(34)28-19-6-8-20(9-7-19)32-13-12-27-15-32;33-22(15-4-5-15)31-25-30-20-11-10-19(29-24(20)35-25)16-2-1-3-17(12-16)23(34)28-18-8-6-14(7-9-18)21-26-13-27-32-21;1-2-23-17(22)12-5-3-4-11(10-12)14-8-9-15-16(20-14)24-18(21-15)19-13-6-7-13/h3-13,18-19H,2,14-17,20H2,1H3,(H,37,43)(H,36,39,40);2-9,16-18,43H,10-15H2,1H3,(H,37,44)(H,35,36,39,40);3-7,10-11,16-17,22H,2,8-9,12-15,18H2,1H3,(H,34,40)(H,35,37);1-5,8-13,15,17H,6-7,14H2,(H,29,34)(H,31,32,33);1-3,6-16H,4-5H2,(H,28,34)(H,30,31,33);1-3,6-12,15H,4-5,13H2,(H,28,34)(H,30,31,33);3-5,8-10,13H,2,6-7H2,1H3,(H,19,21)
InChIKeyIFNGDDFPEOISOC-UHFFFAOYSA-N
MW3614.15 g/mol
LogP38.53
Rot. Bonds47

About 3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 158684191) has the molecular formula C189H167F9N42O12S7 and a molecular weight of 3614.15 g/mol. Its IUPAC name is 3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID158684191
Molecular FormulaC189H167F9N42O12S7
Molecular Weight3614.15 g/mol
Exact Mass3611.16
IUPAC Name3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(Nc6ccccn6)sc5n4)c3)cc2C(F)(F)F)CC1.CCOC(=O)c1cccc(-c2ccc3nc(NC4CC4)sc3n2)c1.Cc1nc(Nc2nc3ccc(-c4cccc(C(=O)Nc5cccc(C(F)(F)F)c5)c4)nc3s2)cc(N2CCN(CCO)CC2)n1.O=C(Nc1ccc(-n2ccnc2)cc1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.O=C(Nc1ccc(C2=NCC=C2)cc1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.O=C(Nc1ccc(C2=NCN=N2)cc1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1
InChIInChI=1S/C32H30F3N7OS.C31H29F3N8O2S.C30H31F3N6OS.C27H21N5O2S.C26H20N6O2S.C25H19N7O2S.C18H17N3O2S/c1-2-41-14-16-42(17-15-41)20-23-9-10-24(19-25(23)32(33,34)35)37-29(43)22-7-5-6-21(18-22)26-11-12-27-30(38-26)44-31(39-27)40-28-8-3-4-13-36-28;1-19-35-26(18-27(36-19)42-12-10-41(11-13-42)14-15-43)40-30-39-25-9-8-24(38-29(25)45-30)20-4-2-5-21(16-20)28(44)37-23-7-3-6-22(17-23)31(32,33)34;1-2-38-12-14-39(15-13-38)18-21-6-7-23(17-24(21)30(31,32)33)34-27(40)20-5-3-4-19(16-20)25-10-11-26-28(36-25)41-29(37-26)35-22-8-9-22;33-24(17-6-7-17)32-27-31-23-13-12-22(30-26(23)35-27)18-3-1-4-19(15-18)25(34)29-20-10-8-16(9-11-20)21-5-2-14-28-21;33-23(16-4-5-16)31-26-30-22-11-10-21(29-25(22)35-26)17-2-1-3-18(14-17)24(34)28-19-6-8-20(9-7-19)32-13-12-27-15-32;33-22(15-4-5-15)31-25-30-20-11-10-19(29-24(20)35-25)16-2-1-3-17(12-16)23(34)28-18-8-6-14(7-9-18)21-26-13-27-32-21;1-2-23-17(22)12-5-3-4-11(10-12)14-8-9-15-16(20-14)24-18(21-15)19-13-6-7-13/h3-13,18-19H,2,14-17,20H2,1H3,(H,37,43)(H,36,39,40);2-9,16-18,43H,10-15H2,1H3,(H,37,44)(H,35,36,39,40);3-7,10-11,16-17,22H,2,8-9,12-15,18H2,1H3,(H,34,40)(H,35,37);1-5,8-13,15,17H,6-7,14H2,(H,29,34)(H,31,32,33);1-3,6-16H,4-5H2,(H,28,34)(H,30,31,33);1-3,6-12,15H,4-5,13H2,(H,28,34)(H,30,31,33);3-5,8-10,13H,2,6-7H2,1H3,(H,19,21)
InChIKeyIFNGDDFPEOISOC-UHFFFAOYSA-N
XLogP38.53
TPSA662.38 Ų
H-Bond Donors14
H-Bond Acceptors52
Rotatable Bonds47
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003614.15
LogP ≤ 538.53
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1052

Analyze 3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 158027091
N-[6-[4-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]cyclopropanecarboxamide;N-[6-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(3-methylphenyl)carbamoyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide;N-(3-methylphenyl)-3-[2-(piperidin-4-ylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide
CID 158042459
8-[1-[Dihydroxy(methyl)-lambda4-sulfanyl]piperidin-4-yl]-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-2-(1-methylpyrrol-2-yl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one
CID 158199794
[4-[2-(3-amino-4-methylphenyl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl acetate;bis(4-(cyclopropylamino)-N-[5-[2-[4-ethyl-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]thieno[3,2-d]pyrimidine-7-carboxamide);4-(cyclopropylamino)-N-[5-[2-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-(cyclopropylamino)-N-[2-methyl-5-[2-[4-[(4-methylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide;4-(cyclopropylamino)thieno[3,2-d]pyrimidine-7-carboxylic acid;methane
CID 158622197
8-ethyl-6-[3-methyl-5-(1-methylpyrrolidin-3-yl)-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[1-methyl-4-(1,3-thiazol-5-yl)imidazol-2-yl]-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-(3-methyl-4-piperazin-1-ylanilino)-6-(4-methyl-6-piperidin-2-yl-3-pyridinyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159955890
CID 161144760
CID 161144760
3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-6-yl]-N-(3-imidazol-1-ylpropyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyrazin-6-yl]-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(2-piperidin-1-ylethyl)benzamide;N-[6-[4-(5-imidazol-1-ylpentanoyl)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]cyclopropanecarboxamide;N-[6-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]cyclopropanecarboxamide;N-[6-[3-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 161370814
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl acetate;2-butylsulfinyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-[4-[(dimethylamino)methyl]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 161227504
tert-butyl 5-(azidomethyl)-2-[2-[2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]benzimidazole-1-carboxylate;tert-butyl N-[2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl]-N-[2-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate;tert-butyl 2-[2-[2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-5-(methylsulfonyloxymethyl)benzimidazole-1-carboxylate;1-O-tert-butyl 5-O-methyl 2-[2-[2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethylamino]ethyl]benzimidazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-methyl 2-[2-[2-[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]benzimidazole-1,5-dicarboxylate
CID 162239127
5-(2-acetamido-1,3-benzothiazol-6-yl)-N-cyclohexylthieno[2,3-b]pyridine-3-carboxamide;N-cyclohexyl-5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxamide;cyclohexyl 5-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]thieno[2,3-b]pyridine-3-carboxylate;oxan-4-yl 6-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]pyrrolo[3,2-b]pyridine-1-carboxylate
CID 165104792

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 158684191) is 3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(Nc6ccccn6)sc5n4)c3)cc2C(F)(F)F)CC1.CCOC(=O)c1cccc(-c2ccc3nc(NC4CC4)sc3n2)c1.Cc1nc(Nc2nc3ccc(-c4cccc(C(=O)Nc5cccc(C(F)(F)F)c5)c4)nc3s2)cc(N2CCN(CCO)CC2)n1.O=C(Nc1ccc(-n2ccnc2)cc1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.O=C(Nc1ccc(C2=NCC=C2)cc1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.O=C(Nc1ccc(C2=NCN=N2)cc1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.
What is the InChIKey of 3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is IFNGDDFPEOISOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F3N7OS.C31H29F3N8O2S.C30H31F3N6OS.C27H21N5O2S.C26H20N6O2S.C25H19N7O2S.C18H17N3O2S/c1-2-41-14-16-42(17-15-41)20-23-9-10-24(19-25(23)32(33,34)35)37-29(43)22-7-5-6-21(18-22)26-11-12-27-30(38-26)44-31(39-27)40-28-8-3-4-13-36-28;1-19-35-26(18-27(36-19)42-12-10-41(11-13-42)14-15-43)40-30-39-25-9-8-24(38-29(25)45-30)20-4-2-5-21(16-20)28(44)37-23-7-3-6-22(17-23)31(32,33)34;1-2-38-12-14-39(15-13-38)18-21-6-7-23(17-24(21)30(31,32)33)34-27(40)20-5-3-4-19(16-20)25-10-11-26-28(36-25)41-29(37-26)35-22-8-9-22;33-24(17-6-7-17)32-27-31-23-13-12-22(30-26(23)35-27)18-3-1-4-19(15-18)25(34)29-20-10-8-16(9-11-20)21-5-2-14-28-21;33-23(16-4-5-16)31-26-30-22-11-10-21(29-25(22)35-26)17-2-1-3-18(14-17)24(34)28-19-6-8-20(9-7-19)32-13-12-27-15-32;33-22(15-4-5-15)31-25-30-20-11-10-19(29-24(20)35-25)16-2-1-3-17(12-16)23(34)28-18-8-6-14(7-9-18)21-26-13-27-32-21;1-2-23-17(22)12-5-3-4-11(10-12)14-8-9-15-16(20-14)24-18(21-15)19-13-6-7-13/h3-13,18-19H,2,14-17,20H2,1H3,(H,37,43)(H,36,39,40);2-9,16-18,43H,10-15H2,1H3,(H,37,44)(H,35,36,39,40);3-7,10-11,16-17,22H,2,8-9,12-15,18H2,1H3,(H,34,40)(H,35,37);1-5,8-13,15,17H,6-7,14H2,(H,29,34)(H,31,32,33);1-3,6-16H,4-5H2,(H,28,34)(H,30,31,33);1-3,6-12,15H,4-5,13H2,(H,28,34)(H,30,31,33);3-5,8-10,13H,2,6-7H2,1H3,(H,19,21).
What are the key properties of 3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 3614.15 g/mol, XLogP of 38.53, 47 rotatable bonds, 14 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(2H-pyrrol-5-yl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-(3H-1,2,4-triazol-5-yl)phenyl]benzamide;3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;ethyl 3-[2-(cyclopropylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzoate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(pyridin-2-ylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;3-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 158684191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).