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

C182H169F12N35O15S7 — CID 158099567

IUPAC3-(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
SMILESCC(=O)Nc1nc2ccc(-c3cccc(C(=O)Nc4cccc(C)c4)c3)nc2s1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC(C)=O)sc5n4)c3)cc2C(F)(F)F)CC1.CONC(=O)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NC(=O)C3CC3)sc2n1.Cc1ccn(-c2cc(NC(=O)c3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C32H33F3N6O2S.C31H31F3N6O2S.C29H29F3N6O2S.C29H22F3N5O2S.C22H18N4O2S.C21H20N4O2S.C18H16N4O3S/c1-3-40-12-14-41(15-13-40)18-22-8-9-23(17-25(22)32(33,34)35)36-29(43)21-5-4-19(2)24(16-21)26-10-11-27-30(37-26)44-31(38-27)39-28(42)20-6-7-20;1-2-39-12-14-40(15-13-39)18-22-8-9-23(17-24(22)31(32,33)34)35-28(42)21-5-3-4-20(16-21)25-10-11-26-29(36-25)43-30(37-26)38-27(41)19-6-7-19;1-3-37-11-13-38(14-12-37)17-21-7-8-22(16-23(21)29(30,31)32)34-26(40)20-6-4-5-19(15-20)24-9-10-25-27(35-24)41-28(36-25)33-18(2)39;1-16-9-10-37(15-16)22-13-20(29(30,31)32)12-21(14-22)33-26(39)19-4-2-3-18(11-19)23-7-8-24-27(34-23)40-28(35-24)36-25(38)17-5-6-17;1-13-5-3-8-17(11-13)24-20(28)16-7-4-6-15(12-16)18-9-10-19-21(25-18)29-22(26-19)23-14(2)27;1-11-2-3-13(19(27)22-14-6-7-14)10-15(11)16-8-9-17-20(23-16)28-21(24-17)25-18(26)12-4-5-12;1-25-22-16(24)12-4-2-3-11(9-12)13-7-8-14-17(19-13)26-18(20-14)21-15(23)10-5-6-10/h4-5,8-11,16-17,20H,3,6-7,12-15,18H2,1-2H3,(H,36,43)(H,38,39,42);3-5,8-11,16-17,19H,2,6-7,12-15,18H2,1H3,(H,35,42)(H,37,38,41);4-10,15-16H,3,11-14,17H2,1-2H3,(H,34,40)(H,33,36,39);2-4,7-15,17H,5-6H2,1H3,(H,33,39)(H,35,36,38);3-12H,1-2H3,(H,24,28)(H,23,26,27);2-3,8-10,12,14H,4-7H2,1H3,(H,22,27)(H,24,25,26);2-4,7-10H,5-6H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyFPBZVFAYRMZUIA-UHFFFAOYSA-N
MW3539.03 g/mol
LogP37.12
Rot. Bonds43

About 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

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 (PubChem CID 158099567) has the molecular formula C182H169F12N35O15S7 and a molecular weight of 3539.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID158099567
Molecular FormulaC182H169F12N35O15S7
Molecular Weight3539.03 g/mol
Exact Mass3536.14
IUPAC Name3-(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
SMILESCC(=O)Nc1nc2ccc(-c3cccc(C(=O)Nc4cccc(C)c4)c3)nc2s1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC(C)=O)sc5n4)c3)cc2C(F)(F)F)CC1.CONC(=O)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NC(=O)C3CC3)sc2n1.Cc1ccn(-c2cc(NC(=O)c3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C32H33F3N6O2S.C31H31F3N6O2S.C29H29F3N6O2S.C29H22F3N5O2S.C22H18N4O2S.C21H20N4O2S.C18H16N4O3S/c1-3-40-12-14-41(15-13-40)18-22-8-9-23(17-25(22)32(33,34)35)36-29(43)21-5-4-19(2)24(16-21)26-10-11-27-30(37-26)44-31(38-27)39-28(42)20-6-7-20;1-2-39-12-14-40(15-13-39)18-22-8-9-23(17-24(22)31(32,33)34)35-28(42)21-5-3-4-20(16-21)25-10-11-26-29(36-25)43-30(37-26)38-27(41)19-6-7-19;1-3-37-11-13-38(14-12-37)17-21-7-8-22(16-23(21)29(30,31)32)34-26(40)20-6-4-5-19(15-20)24-9-10-25-27(35-24)41-28(36-25)33-18(2)39;1-16-9-10-37(15-16)22-13-20(29(30,31)32)12-21(14-22)33-26(39)19-4-2-3-18(11-19)23-7-8-24-27(34-23)40-28(35-24)36-25(38)17-5-6-17;1-13-5-3-8-17(11-13)24-20(28)16-7-4-6-15(12-16)18-9-10-19-21(25-18)29-22(26-19)23-14(2)27;1-11-2-3-13(19(27)22-14-6-7-14)10-15(11)16-8-9-17-20(23-16)28-21(24-17)25-18(26)12-4-5-12;1-25-22-16(24)12-4-2-3-11(9-12)13-7-8-14-17(19-13)26-18(20-14)21-15(23)10-5-6-10/h4-5,8-11,16-17,20H,3,6-7,12-15,18H2,1-2H3,(H,36,43)(H,38,39,42);3-5,8-11,16-17,19H,2,6-7,12-15,18H2,1H3,(H,35,42)(H,37,38,41);4-10,15-16H,3,11-14,17H2,1-2H3,(H,34,40)(H,33,36,39);2-4,7-15,17H,5-6H2,1H3,(H,33,39)(H,35,36,38);3-12H,1-2H3,(H,24,28)(H,23,26,27);2-3,8-10,12,14H,4-7H2,1H3,(H,22,27)(H,24,25,26);2-4,7-10H,5-6H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyFPBZVFAYRMZUIA-UHFFFAOYSA-N
XLogP37.12
TPSA621.46 Ų
H-Bond Donors14
H-Bond Acceptors43
Rotatable Bonds43
Heavy Atoms251
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003539.03
LogP ≤ 537.12
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1nc2ccc(-c3cccc(C(=O)Nc4cccc(C)c4)c3)nc2s1.CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC(C)=O)sc5n4)c3)cc2C(F)(F)F)CC1.CONC(=O)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NC(=O)C3CC3)sc2n1.Cc1ccn(-c2cc(NC(=O)c3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 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?
The InChIKey is FPBZVFAYRMZUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N6O2S.C31H31F3N6O2S.C29H29F3N6O2S.C29H22F3N5O2S.C22H18N4O2S.C21H20N4O2S.C18H16N4O3S/c1-3-40-12-14-41(15-13-40)18-22-8-9-23(17-25(22)32(33,34)35)36-29(43)21-5-4-19(2)24(16-21)26-10-11-27-30(37-26)44-31(38-27)39-28(42)20-6-7-20;1-2-39-12-14-40(15-13-39)18-22-8-9-23(17-24(22)31(32,33)34)35-28(42)21-5-3-4-20(16-21)25-10-11-26-29(36-25)43-30(37-26)38-27(41)19-6-7-19;1-3-37-11-13-38(14-12-37)17-21-7-8-22(16-23(21)29(30,31)32)34-26(40)20-6-4-5-19(15-20)24-9-10-25-27(35-24)41-28(36-25)33-18(2)39;1-16-9-10-37(15-16)22-13-20(29(30,31)32)12-21(14-22)33-26(39)19-4-2-3-18(11-19)23-7-8-24-27(34-23)40-28(35-24)36-25(38)17-5-6-17;1-13-5-3-8-17(11-13)24-20(28)16-7-4-6-15(12-16)18-9-10-19-21(25-18)29-22(26-19)23-14(2)27;1-11-2-3-13(19(27)22-14-6-7-14)10-15(11)16-8-9-17-20(23-16)28-21(24-17)25-18(26)12-4-5-12;1-25-22-16(24)12-4-2-3-11(9-12)13-7-8-14-17(19-13)26-18(20-14)21-15(23)10-5-6-10/h4-5,8-11,16-17,20H,3,6-7,12-15,18H2,1-2H3,(H,36,43)(H,38,39,42);3-5,8-11,16-17,19H,2,6-7,12-15,18H2,1H3,(H,35,42)(H,37,38,41);4-10,15-16H,3,11-14,17H2,1-2H3,(H,34,40)(H,33,36,39);2-4,7-15,17H,5-6H2,1H3,(H,33,39)(H,35,36,38);3-12H,1-2H3,(H,24,28)(H,23,26,27);2-3,8-10,12,14H,4-7H2,1H3,(H,22,27)(H,24,25,26);2-4,7-10H,5-6H2,1H3,(H,22,24)(H,20,21,23).
What are the key properties of 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?
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 has a molecular weight of 3539.03 g/mol, XLogP of 37.12, 43 rotatable bonds, 14 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158099567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).