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

C184H164F12N42O14S7 — CID 161370814

IUPAC3-[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
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4cnc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.Cc1ccn(-c2cc(NC(=O)c3cccc(-c4cnc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)c1.Cc1cn(-c2cc(CC(=O)c3ccc(-c4cnc5nc(NC(=O)C6CC6)sc5n4)cc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(CC(=O)c3cccc(-c4cnc5sc(NC(=O)C6CC6)nc5c4)c3)cc(C(F)(F)F)c2)cn1.O=C(CCCCn1ccnc1)c1ccc(-c2cnc3nc(NC(=O)C4CC4)sc3n2)cc1.O=C(NCCCn1ccnc1)c1cccc(-c2cnc3nc(NC(=O)C4CC4)sc3n2)c1.O=C(NCCN1CCCCC1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1
InChIInChI=1S/C30H30F3N7O2S.C29H22F3N5O2S.2C28H21F3N6O2S.C24H27N5O2S.C23H22N6O2S.C22H21N7O2S/c1-2-39-10-12-40(13-11-39)17-21-8-9-22(15-23(21)30(31,32)33)35-27(42)20-5-3-4-19(14-20)24-16-34-25-28(36-24)43-29(37-25)38-26(41)18-6-7-18;1-16-14-37(15-34-16)23-8-17(7-22(12-23)29(30,31)32)9-25(38)20-4-2-3-19(10-20)21-11-24-27(33-13-21)40-28(35-24)36-26(39)18-5-6-18;1-15-13-37(14-33-15)21-9-16(8-20(11-21)28(29,30)31)10-23(38)18-4-2-17(3-5-18)22-12-32-24-26(34-22)40-27(35-24)36-25(39)19-6-7-19;1-15-7-8-37(14-15)21-11-19(28(29,30)31)10-20(12-21)33-25(39)18-4-2-3-17(9-18)22-13-32-23-26(34-22)40-27(35-23)36-24(38)16-5-6-16;30-21(25-11-14-29-12-2-1-3-13-29)18-6-4-5-17(15-18)19-9-10-20-23(26-19)32-24(27-20)28-22(31)16-7-8-16;30-19(3-1-2-11-29-12-10-24-14-29)16-6-4-15(5-7-16)18-13-25-20-22(26-18)32-23(27-20)28-21(31)17-8-9-17;30-19(24-7-2-9-29-10-8-23-13-29)16-4-1-3-15(11-16)17-12-25-18-21(26-17)32-22(27-18)28-20(31)14-5-6-14/h3-5,8-9,14-16,18H,2,6-7,10-13,17H2,1H3,(H,35,42)(H,34,37,38,41);2-4,7-8,10-15,18H,5-6,9H2,1H3,(H,35,36,39);2-5,8-9,11-14,19H,6-7,10H2,1H3,(H,32,35,36,39);2-4,7-14,16H,5-6H2,1H3,(H,33,39)(H,32,35,36,38);4-6,9-10,15-16H,1-3,7-8,11-14H2,(H,25,30)(H,27,28,31);4-7,10,12-14,17H,1-3,8-9,11H2,(H,25,27,28,31);1,3-4,8,10-14H,2,5-7,9H2,(H,24,30)(H,25,27,28,31)
InChIKeyVQKXBEZRFKQKKI-UHFFFAOYSA-N
MW3640.06 g/mol
LogP36.06
Rot. Bonds52

About 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

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 (PubChem CID 161370814) has the molecular formula C184H164F12N42O14S7 and a molecular weight of 3640.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID161370814
Molecular FormulaC184H164F12N42O14S7
Molecular Weight3640.06 g/mol
Exact Mass3637.13
IUPAC Name3-[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
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4cnc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.Cc1ccn(-c2cc(NC(=O)c3cccc(-c4cnc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)c1.Cc1cn(-c2cc(CC(=O)c3ccc(-c4cnc5nc(NC(=O)C6CC6)sc5n4)cc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(CC(=O)c3cccc(-c4cnc5sc(NC(=O)C6CC6)nc5c4)c3)cc(C(F)(F)F)c2)cn1.O=C(CCCCn1ccnc1)c1ccc(-c2cnc3nc(NC(=O)C4CC4)sc3n2)cc1.O=C(NCCCn1ccnc1)c1cccc(-c2cnc3nc(NC(=O)C4CC4)sc3n2)c1.O=C(NCCN1CCCCC1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1
InChIInChI=1S/C30H30F3N7O2S.C29H22F3N5O2S.2C28H21F3N6O2S.C24H27N5O2S.C23H22N6O2S.C22H21N7O2S/c1-2-39-10-12-40(13-11-39)17-21-8-9-22(15-23(21)30(31,32)33)35-27(42)20-5-3-4-19(14-20)24-16-34-25-28(36-24)43-29(37-25)38-26(41)18-6-7-18;1-16-14-37(15-34-16)23-8-17(7-22(12-23)29(30,31)32)9-25(38)20-4-2-3-19(10-20)21-11-24-27(33-13-21)40-28(35-24)36-26(39)18-5-6-18;1-15-13-37(14-33-15)21-9-16(8-20(11-21)28(29,30)31)10-23(38)18-4-2-17(3-5-18)22-12-32-24-26(34-22)40-27(35-24)36-25(39)19-6-7-19;1-15-7-8-37(14-15)21-11-19(28(29,30)31)10-20(12-21)33-25(39)18-4-2-3-17(9-18)22-13-32-23-26(34-22)40-27(35-23)36-24(38)16-5-6-16;30-21(25-11-14-29-12-2-1-3-13-29)18-6-4-5-17(15-18)19-9-10-20-23(26-19)32-24(27-20)28-22(31)16-7-8-16;30-19(3-1-2-11-29-12-10-24-14-29)16-6-4-15(5-7-16)18-13-25-20-22(26-18)32-23(27-20)28-21(31)17-8-9-17;30-19(24-7-2-9-29-10-8-23-13-29)16-4-1-3-15(11-16)17-12-25-18-21(26-17)32-22(27-18)28-20(31)14-5-6-14/h3-5,8-9,14-16,18H,2,6-7,10-13,17H2,1H3,(H,35,42)(H,34,37,38,41);2-4,7-8,10-15,18H,5-6,9H2,1H3,(H,35,36,39);2-5,8-9,11-14,19H,6-7,10H2,1H3,(H,32,35,36,39);2-4,7-14,16H,5-6H2,1H3,(H,33,39)(H,32,35,36,38);4-6,9-10,15-16H,1-3,7-8,11-14H2,(H,25,30)(H,27,28,31);4-7,10,12-14,17H,1-3,8-9,11H2,(H,25,27,28,31);1,3-4,8,10-14H,2,5-7,9H2,(H,24,30)(H,25,27,28,31)
InChIKeyVQKXBEZRFKQKKI-UHFFFAOYSA-N
XLogP36.06
TPSA702.15 Ų
H-Bond Donors11
H-Bond Acceptors52
Rotatable Bonds52
Heavy Atoms259
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003640.06
LogP ≤ 536.06
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4cnc5nc(NC(=O)C6CC6)sc5n4)c3)cc2C(F)(F)F)CC1.Cc1ccn(-c2cc(NC(=O)c3cccc(-c4cnc5nc(NC(=O)C6CC6)sc5n4)c3)cc(C(F)(F)F)c2)c1.Cc1cn(-c2cc(CC(=O)c3ccc(-c4cnc5nc(NC(=O)C6CC6)sc5n4)cc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(CC(=O)c3cccc(-c4cnc5sc(NC(=O)C6CC6)nc5c4)c3)cc(C(F)(F)F)c2)cn1.O=C(CCCCn1ccnc1)c1ccc(-c2cnc3nc(NC(=O)C4CC4)sc3n2)cc1.O=C(NCCCn1ccnc1)c1cccc(-c2cnc3nc(NC(=O)C4CC4)sc3n2)c1.O=C(NCCN1CCCCC1)c1cccc(-c2ccc3nc(NC(=O)C4CC4)sc3n2)c1.
What is the InChIKey of 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?
The InChIKey is VQKXBEZRFKQKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N7O2S.C29H22F3N5O2S.2C28H21F3N6O2S.C24H27N5O2S.C23H22N6O2S.C22H21N7O2S/c1-2-39-10-12-40(13-11-39)17-21-8-9-22(15-23(21)30(31,32)33)35-27(42)20-5-3-4-19(14-20)24-16-34-25-28(36-24)43-29(37-25)38-26(41)18-6-7-18;1-16-14-37(15-34-16)23-8-17(7-22(12-23)29(30,31)32)9-25(38)20-4-2-3-19(10-20)21-11-24-27(33-13-21)40-28(35-24)36-26(39)18-5-6-18;1-15-13-37(14-33-15)21-9-16(8-20(11-21)28(29,30)31)10-23(38)18-4-2-17(3-5-18)22-12-32-24-26(34-22)40-27(35-24)36-25(39)19-6-7-19;1-15-7-8-37(14-15)21-11-19(28(29,30)31)10-20(12-21)33-25(39)18-4-2-3-17(9-18)22-13-32-23-26(34-22)40-27(35-23)36-24(38)16-5-6-16;30-21(25-11-14-29-12-2-1-3-13-29)18-6-4-5-17(15-18)19-9-10-20-23(26-19)32-24(27-20)28-22(31)16-7-8-16;30-19(3-1-2-11-29-12-10-24-14-29)16-6-4-15(5-7-16)18-13-25-20-22(26-18)32-23(27-20)28-21(31)17-8-9-17;30-19(24-7-2-9-29-10-8-23-13-29)16-4-1-3-15(11-16)17-12-25-18-21(26-17)32-22(27-18)28-20(31)14-5-6-14/h3-5,8-9,14-16,18H,2,6-7,10-13,17H2,1H3,(H,35,42)(H,34,37,38,41);2-4,7-8,10-15,18H,5-6,9H2,1H3,(H,35,36,39);2-5,8-9,11-14,19H,6-7,10H2,1H3,(H,32,35,36,39);2-4,7-14,16H,5-6H2,1H3,(H,33,39)(H,32,35,36,38);4-6,9-10,15-16H,1-3,7-8,11-14H2,(H,25,30)(H,27,28,31);4-7,10,12-14,17H,1-3,8-9,11H2,(H,25,27,28,31);1,3-4,8,10-14H,2,5-7,9H2,(H,24,30)(H,25,27,28,31).
What are the key properties of 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?
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 has a molecular weight of 3640.06 g/mol, XLogP of 36.06, 52 rotatable bonds, 11 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161370814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).