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

C148H148F9N27O10S5 — CID 158042459

IUPACN-[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
SMILESCCN1CCN(Cc2ccc(CC(=O)Cc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(-c4cnc5nc(NC(=O)C6CC6)sc5n4)cc3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3cccc(-c4cnc5sc(NC(=O)C6CC6)nc5c4)c3)cc2C(F)(F)F)CC1.Cc1cccc(NC(=O)c2cccc(-c3ccc4nc(NC(=O)C5CCNCC5)sc4n3)c2)c1.Cc1cccc(NC(=O)c2cccc(-c3ccc4nc(NC(=O)NC5CCNCC5)sc4n3)c2)c1
InChIInChI=1S/C33H34F3N5O2S.C32H32F3N5O2S.C31H31F3N6O2S.C26H26N6O2S.C26H25N5O2S/c1-2-40-12-14-41(15-13-40)20-25-7-6-22(19-27(25)33(34,35)36)18-26(42)17-21-4-3-5-24(16-21)28-10-11-29-31(37-28)44-32(38-29)39-30(43)23-8-9-23;1-2-39-10-12-40(13-11-39)19-24-7-6-20(14-26(24)32(33,34)35)15-28(41)23-5-3-4-22(16-23)25-17-27-30(36-18-25)43-31(37-27)38-29(42)21-8-9-21;1-2-39-11-13-40(14-12-39)18-23-4-3-19(15-24(23)31(32,33)34)16-26(41)21-7-5-20(6-8-21)25-17-35-27-29(36-25)43-30(37-27)38-28(42)22-9-10-22;1-16-4-2-7-20(14-16)28-23(33)18-6-3-5-17(15-18)21-8-9-22-24(30-21)35-26(31-22)32-25(34)29-19-10-12-27-13-11-19;1-16-4-2-7-20(14-16)28-24(33)19-6-3-5-18(15-19)21-8-9-22-25(29-21)34-26(30-22)31-23(32)17-10-12-27-13-11-17/h3-7,10-11,16,19,23H,2,8-9,12-15,17-18,20H2,1H3,(H,38,39,43);3-7,14,16-18,21H,2,8-13,15,19H2,1H3,(H,37,38,42);3-8,15,17,22H,2,9-14,16,18H2,1H3,(H,35,37,38,42);2-9,14-15,19,27H,10-13H2,1H3,(H,28,33)(H2,29,31,32,34);2-9,14-15,17,27H,10-13H2,1H3,(H,28,33)(H,30,31,32)
InChIKeyFINBAMHDFTVLGL-UHFFFAOYSA-N
MW2796.31 g/mol
LogP27.84
Rot. Bonds38

About 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

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 (PubChem CID 158042459) has the molecular formula C148H148F9N27O10S5 and a molecular weight of 2796.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID158042459
Molecular FormulaC148H148F9N27O10S5
Molecular Weight2796.31 g/mol
Exact Mass2794.04
IUPAC NameN-[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
SMILESCCN1CCN(Cc2ccc(CC(=O)Cc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(-c4cnc5nc(NC(=O)C6CC6)sc5n4)cc3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3cccc(-c4cnc5sc(NC(=O)C6CC6)nc5c4)c3)cc2C(F)(F)F)CC1.Cc1cccc(NC(=O)c2cccc(-c3ccc4nc(NC(=O)C5CCNCC5)sc4n3)c2)c1.Cc1cccc(NC(=O)c2cccc(-c3ccc4nc(NC(=O)NC5CCNCC5)sc4n3)c2)c1
InChIInChI=1S/C33H34F3N5O2S.C32H32F3N5O2S.C31H31F3N6O2S.C26H26N6O2S.C26H25N5O2S/c1-2-40-12-14-41(15-13-40)20-25-7-6-22(19-27(25)33(34,35)36)18-26(42)17-21-4-3-5-24(16-21)28-10-11-29-31(37-28)44-32(38-29)39-30(43)23-8-9-23;1-2-39-10-12-40(13-11-39)19-24-7-6-20(14-26(24)32(33,34)35)15-28(41)23-5-3-4-22(16-23)25-17-27-30(36-18-25)43-31(37-27)38-29(42)21-8-9-21;1-2-39-11-13-40(14-12-39)18-23-4-3-19(15-24(23)31(32,33)34)16-26(41)21-7-5-20(6-8-21)25-17-35-27-29(36-25)43-30(37-27)38-28(42)22-9-10-22;1-16-4-2-7-20(14-16)28-23(33)18-6-3-5-17(15-18)21-8-9-22-24(30-21)35-26(31-22)32-25(34)29-19-10-12-27-13-11-19;1-16-4-2-7-20(14-16)28-24(33)19-6-3-5-18(15-19)21-8-9-22-25(29-21)34-26(30-22)31-23(32)17-10-12-27-13-11-17/h3-7,10-11,16,19,23H,2,8-9,12-15,17-18,20H2,1H3,(H,38,39,43);3-7,14,16-18,21H,2,8-13,15,19H2,1H3,(H,37,38,42);3-8,15,17,22H,2,9-14,16,18H2,1H3,(H,35,37,38,42);2-9,14-15,19,27H,10-13H2,1H3,(H,28,33)(H2,29,31,32,34);2-9,14-15,17,27H,10-13H2,1H3,(H,28,33)(H,30,31,32)
InChIKeyFINBAMHDFTVLGL-UHFFFAOYSA-N
XLogP27.84
TPSA452.23 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002796.31
LogP ≤ 527.84
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze 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 with MolForge

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Related Compounds

6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 157062439
1-[3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-6-yl)-4-methylphenyl]-2-(4-tert-butylphenyl)ethanone;1-[3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-6-yl)-4-methylphenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanone;1-[3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-6-yl)-4-methylphenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-6-yl)-4-methylphenyl]-2-(3-piperidin-1-ylphenyl)ethanone;1-[3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-6-yl)-4-methylphenyl]-2-(4-piperidin-1-ylphenyl)ethanone;N-[6-[5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide
CID 157294676
8-chloro-2-cyclopropyl-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-methylphenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-8-[6-(trifluoromethyl)-3-pyridinyl]isoquinolin-1-one
CID 157557166
3-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-(3-methylphenyl)benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-methoxybenzamide;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 158099567
3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;N-[5-[4-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(2-oxo-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide;N-[5-[4-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(4-piperidin-1-ylbutanoyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 158486119
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
1-[3-[2-(2-Amino-1,3-thiazol-5-yl)ethynyl]-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(2-amino-1,3-thiazol-5-yl)ethynyl]-4-methylphenyl]-2-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(2-amino-1,3-thiazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;1-[3-[2-[2-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-5-yl]ethynyl]-4-methylphenyl]-2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]ethanone;2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-[4-methyl-3-[2-[2-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazol-5-yl]ethynyl]phenyl]ethanone
CID 158693585
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158792541
1-[3-[2-(2-Amino-1,3-thiazol-5-yl)ethynyl]-4-methylphenyl]-2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(2-amino-1,3-thiazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[2-(2-amino-1,3-thiazol-5-yl)ethynyl]-4-methylphenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;1-[3-[2-[2-(2-cyclopropyl-2-oxoethyl)-1,3-thiazol-5-yl]ethynyl]-4-methylphenyl]-2-[3-[4-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]ethanone;2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1-[4-methyl-3-[2-[2-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazol-5-yl]ethynyl]phenyl]ethanone
CID 158821558
1-(4-Aminophenyl)-2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]ethanone;2-[3-[4-(cyclopropylamino)thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[3-[(3-cyclopropyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methylphenyl]-1-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[3-[4-[4-(dimethylamino)cyclohexyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]-1-(3-methylphenyl)ethanone
CID 159034275
3-[2-[3-(4-acetylpiperazin-1-yl)propanoylamino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-methylphenyl)benzamide;1-[3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-6-yl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]benzamide;6-(2,5-dimethylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;3-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]benzoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-methylphenyl)benzamide;N-(3-methylphenyl)-3-[2-(3-piperazin-1-ylpropanoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;N-(3-methylphenyl)-3-[2-(4-piperazin-1-ylsulfonylanilino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide;bis(6-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-amine)
CID 159082860
(1R,5S)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-1-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(3-methylnaphthalen-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-quinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 159386052

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCN(Cc2ccc(CC(=O)Cc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3ccc(-c4cnc5nc(NC(=O)C6CC6)sc5n4)cc3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)c3cccc(-c4cnc5sc(NC(=O)C6CC6)nc5c4)c3)cc2C(F)(F)F)CC1.Cc1cccc(NC(=O)c2cccc(-c3ccc4nc(NC(=O)C5CCNCC5)sc4n3)c2)c1.Cc1cccc(NC(=O)c2cccc(-c3ccc4nc(NC(=O)NC5CCNCC5)sc4n3)c2)c1.
What is the InChIKey of 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?
The InChIKey is FINBAMHDFTVLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N5O2S.C32H32F3N5O2S.C31H31F3N6O2S.C26H26N6O2S.C26H25N5O2S/c1-2-40-12-14-41(15-13-40)20-25-7-6-22(19-27(25)33(34,35)36)18-26(42)17-21-4-3-5-24(16-21)28-10-11-29-31(37-28)44-32(38-29)39-30(43)23-8-9-23;1-2-39-10-12-40(13-11-39)19-24-7-6-20(14-26(24)32(33,34)35)15-28(41)23-5-3-4-22(16-23)25-17-27-30(36-18-25)43-31(37-27)38-29(42)21-8-9-21;1-2-39-11-13-40(14-12-39)18-23-4-3-19(15-24(23)31(32,33)34)16-26(41)21-7-5-20(6-8-21)25-17-35-27-29(36-25)43-30(37-27)38-28(42)22-9-10-22;1-16-4-2-7-20(14-16)28-23(33)18-6-3-5-17(15-18)21-8-9-22-24(30-21)35-26(31-22)32-25(34)29-19-10-12-27-13-11-19;1-16-4-2-7-20(14-16)28-24(33)19-6-3-5-18(15-19)21-8-9-22-25(29-21)34-26(30-22)31-23(32)17-10-12-27-13-11-17/h3-7,10-11,16,19,23H,2,8-9,12-15,17-18,20H2,1H3,(H,38,39,43);3-7,14,16-18,21H,2,8-13,15,19H2,1H3,(H,37,38,42);3-8,15,17,22H,2,9-14,16,18H2,1H3,(H,35,37,38,42);2-9,14-15,19,27H,10-13H2,1H3,(H,28,33)(H2,29,31,32,34);2-9,14-15,17,27H,10-13H2,1H3,(H,28,33)(H,30,31,32).
What are the key properties of 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?
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 has a molecular weight of 2796.31 g/mol, XLogP of 27.84, 38 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158042459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).