tert-butyl 2-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]acetate;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-piperidin-1-ylpropyl)benzamide;N-[5-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-6-piperidin-1-ylhexyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-5-piperidin-1-ylpentyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

C211H216F9N33O16S8 — CID 161144760

IUPACtert-butyl 2-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]acetate;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-piperidin-1-ylpropyl)benzamide;N-[5-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-6-piperidin-1-ylhexyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-5-piperidin-1-ylpentyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(C)(C)OC(=O)Cc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.CC1CCN(Cc2ccc(C(=O)Cc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(C(=O)Cc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.Cc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.Cc1cn(-c2cc(CC(=O)Cc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)cn1.O=C(CCCCN1CCCCC1)Cc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.O=C(CCCN1CCCCC1)Cc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.O=C(NCCCN1CCCCC1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1
InChIInChI=1S/C32H32F3N5O2S.C32H31F3N4O2S.C30H24F3N5O2S.C27H32N4O2S.C26H30N4O2S.C25H29N5O2S.C22H23N3O3S.C17H15N3OS/c1-2-39-12-14-40(15-13-39)19-24-9-8-23(18-25(24)32(33,34)35)28(41)17-20-4-3-5-22(16-20)26-10-11-27-30(36-26)43-31(37-27)38-29(42)21-6-7-21;1-19-11-13-39(14-12-19)18-24-8-7-23(17-25(24)32(33,34)35)28(40)16-20-3-2-4-22(15-20)26-9-10-27-30(36-26)42-31(37-27)38-29(41)21-5-6-21;1-17-15-38(16-34-17)23-11-19(10-22(14-23)30(31,32)33)13-24(39)12-18-3-2-4-21(9-18)25-7-8-26-28(35-25)41-29(36-26)37-27(40)20-5-6-20;32-22(9-2-5-16-31-14-3-1-4-15-31)18-19-7-6-8-21(17-19)23-12-13-24-26(28-23)34-27(29-24)30-25(33)20-10-11-20;31-21(8-5-15-30-13-2-1-3-14-30)17-18-6-4-7-20(16-18)22-11-12-23-25(27-22)33-26(28-23)29-24(32)19-9-10-19;31-22(26-12-5-15-30-13-2-1-3-14-30)19-7-4-6-18(16-19)20-10-11-21-24(27-20)33-25(28-21)29-23(32)17-8-9-17;1-22(2,3)28-18(26)12-13-5-4-6-15(11-13)16-9-10-17-20(23-16)29-21(24-17)25-19(27)14-7-8-14;1-10-3-2-4-12(9-10)13-7-8-14-16(18-13)22-17(19-14)20-15(21)11-5-6-11/h3-5,8-11,16,18,21H,2,6-7,12-15,17,19H2,1H3,(H,37,38,42);2-4,7-10,15,17,19,21H,5-6,11-14,16,18H2,1H3,(H,37,38,41);2-4,7-11,14-16,20H,5-6,12-13H2,1H3,(H,36,37,40);6-8,12-13,17,20H,1-5,9-11,14-16,18H2,(H,29,30,33);4,6-7,11-12,16,19H,1-3,5,8-10,13-15,17H2,(H,28,29,32);4,6-7,10-11,16-17H,1-3,5,8-9,12-15H2,(H,26,31)(H,28,29,32);4-6,9-11,14H,7-8,12H2,1-3H3,(H,24,25,27);2-4,7-9,11H,5-6H2,1H3,(H,19,20,21)
InChIKeyUNXCNQZPMUMPDK-UHFFFAOYSA-N
MW3897.78 g/mol
LogP43.72
Rot. Bonds60

About tert-butyl 2-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]acetate;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-piperidin-1-ylpropyl)benzamide;N-[5-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-6-piperidin-1-ylhexyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-5-piperidin-1-ylpentyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

tert-butyl 2-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]acetate;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-piperidin-1-ylpropyl)benzamide;N-[5-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-6-piperidin-1-ylhexyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-5-piperidin-1-ylpentyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 161144760) has the molecular formula C211H216F9N33O16S8 and a molecular weight of 3897.78 g/mol. Its IUPAC name is tert-butyl 2-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]acetate;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-piperidin-1-ylpropyl)benzamide;N-[5-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-6-piperidin-1-ylhexyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-5-piperidin-1-ylpentyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound Nametert-butyl 2-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]acetate;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-piperidin-1-ylpropyl)benzamide;N-[5-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-6-piperidin-1-ylhexyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-5-piperidin-1-ylpentyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID161144760
Molecular FormulaC211H216F9N33O16S8
Molecular Weight3897.78 g/mol
Exact Mass3894.47
IUPAC Nametert-butyl 2-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]acetate;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-piperidin-1-ylpropyl)benzamide;N-[5-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-6-piperidin-1-ylhexyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-5-piperidin-1-ylpentyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(C)(C)OC(=O)Cc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.CC1CCN(Cc2ccc(C(=O)Cc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(C(=O)Cc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.Cc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.Cc1cn(-c2cc(CC(=O)Cc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)cn1.O=C(CCCCN1CCCCC1)Cc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.O=C(CCCN1CCCCC1)Cc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.O=C(NCCCN1CCCCC1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1
InChIInChI=1S/C32H32F3N5O2S.C32H31F3N4O2S.C30H24F3N5O2S.C27H32N4O2S.C26H30N4O2S.C25H29N5O2S.C22H23N3O3S.C17H15N3OS/c1-2-39-12-14-40(15-13-39)19-24-9-8-23(18-25(24)32(33,34)35)28(41)17-20-4-3-5-22(16-20)26-10-11-27-30(36-26)43-31(37-27)38-29(42)21-6-7-21;1-19-11-13-39(14-12-19)18-24-8-7-23(17-25(24)32(33,34)35)28(40)16-20-3-2-4-22(15-20)26-9-10-27-30(36-26)42-31(37-27)38-29(41)21-5-6-21;1-17-15-38(16-34-17)23-11-19(10-22(14-23)30(31,32)33)13-24(39)12-18-3-2-4-21(9-18)25-7-8-26-28(35-25)41-29(36-26)37-27(40)20-5-6-20;32-22(9-2-5-16-31-14-3-1-4-15-31)18-19-7-6-8-21(17-19)23-12-13-24-26(28-23)34-27(29-24)30-25(33)20-10-11-20;31-21(8-5-15-30-13-2-1-3-14-30)17-18-6-4-7-20(16-18)22-11-12-23-25(27-22)33-26(28-23)29-24(32)19-9-10-19;31-22(26-12-5-15-30-13-2-1-3-14-30)19-7-4-6-18(16-19)20-10-11-21-24(27-20)33-25(28-21)29-23(32)17-8-9-17;1-22(2,3)28-18(26)12-13-5-4-6-15(11-13)16-9-10-17-20(23-16)29-21(24-17)25-19(27)14-7-8-14;1-10-3-2-4-12(9-10)13-7-8-14-16(18-13)22-17(19-14)20-15(21)11-5-6-11/h3-5,8-11,16,18,21H,2,6-7,12-15,17,19H2,1H3,(H,37,38,42);2-4,7-10,15,17,19,21H,5-6,11-14,16,18H2,1H3,(H,37,38,41);2-4,7-11,14-16,20H,5-6,12-13H2,1H3,(H,36,37,40);6-8,12-13,17,20H,1-5,9-11,14-16,18H2,(H,29,30,33);4,6-7,11-12,16,19H,1-3,5,8-10,13-15,17H2,(H,28,29,32);4,6-7,10-11,16-17H,1-3,5,8-9,12-15H2,(H,26,31)(H,28,29,32);4-6,9-11,14H,7-8,12H2,1-3H3,(H,24,25,27);2-4,7-9,11H,5-6H2,1H3,(H,19,20,21)
InChIKeyUNXCNQZPMUMPDK-UHFFFAOYSA-N
XLogP43.72
TPSA617.05 Ų
H-Bond Donors9
H-Bond Acceptors48
Rotatable Bonds60
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003897.78
LogP ≤ 543.72
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]acetate;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-piperidin-1-ylpropyl)benzamide;N-[5-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-6-piperidin-1-ylhexyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-5-piperidin-1-ylpentyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]acetate;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-piperidin-1-ylpropyl)benzamide;N-[5-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-6-piperidin-1-ylhexyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-5-piperidin-1-ylpentyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of tert-butyl 2-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]acetate;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-piperidin-1-ylpropyl)benzamide;N-[5-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-6-piperidin-1-ylhexyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-5-piperidin-1-ylpentyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide (CID 161144760) is tert-butyl 2-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]acetate;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-piperidin-1-ylpropyl)benzamide;N-[5-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-6-piperidin-1-ylhexyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-5-piperidin-1-ylpentyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for tert-butyl 2-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]acetate;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-piperidin-1-ylpropyl)benzamide;N-[5-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-6-piperidin-1-ylhexyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-5-piperidin-1-ylpentyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for tert-butyl 2-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]acetate;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-piperidin-1-ylpropyl)benzamide;N-[5-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-6-piperidin-1-ylhexyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-5-piperidin-1-ylpentyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is CC(C)(C)OC(=O)Cc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.CC1CCN(Cc2ccc(C(=O)Cc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(C(=O)Cc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.Cc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.Cc1cn(-c2cc(CC(=O)Cc3cccc(-c4ccc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)cn1.O=C(CCCCN1CCCCC1)Cc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.O=C(CCCN1CCCCC1)Cc1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.O=C(NCCCN1CCCCC1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.
What is the InChIKey of tert-butyl 2-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]acetate;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-piperidin-1-ylpropyl)benzamide;N-[5-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-6-piperidin-1-ylhexyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-5-piperidin-1-ylpentyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is UNXCNQZPMUMPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N5O2S.C32H31F3N4O2S.C30H24F3N5O2S.C27H32N4O2S.C26H30N4O2S.C25H29N5O2S.C22H23N3O3S.C17H15N3OS/c1-2-39-12-14-40(15-13-39)19-24-9-8-23(18-25(24)32(33,34)35)28(41)17-20-4-3-5-22(16-20)26-10-11-27-30(36-26)43-31(37-27)38-29(42)21-6-7-21;1-19-11-13-39(14-12-19)18-24-8-7-23(17-25(24)32(33,34)35)28(40)16-20-3-2-4-22(15-20)26-9-10-27-30(36-26)42-31(37-27)38-29(41)21-5-6-21;1-17-15-38(16-34-17)23-11-19(10-22(14-23)30(31,32)33)13-24(39)12-18-3-2-4-21(9-18)25-7-8-26-28(35-25)41-29(36-26)37-27(40)20-5-6-20;32-22(9-2-5-16-31-14-3-1-4-15-31)18-19-7-6-8-21(17-19)23-12-13-24-26(28-23)34-27(29-24)30-25(33)20-10-11-20;31-21(8-5-15-30-13-2-1-3-14-30)17-18-6-4-7-20(16-18)22-11-12-23-25(27-22)33-26(28-23)29-24(32)19-9-10-19;31-22(26-12-5-15-30-13-2-1-3-14-30)19-7-4-6-18(16-19)20-10-11-21-24(27-20)33-25(28-21)29-23(32)17-8-9-17;1-22(2,3)28-18(26)12-13-5-4-6-15(11-13)16-9-10-17-20(23-16)29-21(24-17)25-19(27)14-7-8-14;1-10-3-2-4-12(9-10)13-7-8-14-16(18-13)22-17(19-14)20-15(21)11-5-6-11/h3-5,8-11,16,18,21H,2,6-7,12-15,17,19H2,1H3,(H,37,38,42);2-4,7-10,15,17,19,21H,5-6,11-14,16,18H2,1H3,(H,37,38,41);2-4,7-11,14-16,20H,5-6,12-13H2,1H3,(H,36,37,40);6-8,12-13,17,20H,1-5,9-11,14-16,18H2,(H,29,30,33);4,6-7,11-12,16,19H,1-3,5,8-10,13-15,17H2,(H,28,29,32);4,6-7,10-11,16-17H,1-3,5,8-9,12-15H2,(H,26,31)(H,28,29,32);4-6,9-11,14H,7-8,12H2,1-3H3,(H,24,25,27);2-4,7-9,11H,5-6H2,1H3,(H,19,20,21).
What are the key properties of tert-butyl 2-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]acetate;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-piperidin-1-ylpropyl)benzamide;N-[5-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-6-piperidin-1-ylhexyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-5-piperidin-1-ylpentyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide?
tert-butyl 2-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]acetate;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-piperidin-1-ylpropyl)benzamide;N-[5-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-6-piperidin-1-ylhexyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-5-piperidin-1-ylpentyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 3897.78 g/mol, XLogP of 43.72, 60 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]acetate;3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-(3-piperidin-1-ylpropyl)benzamide;N-[5-[3-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxopropyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(3-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-6-piperidin-1-ylhexyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-(2-oxo-5-piperidin-1-ylpentyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 161144760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).