2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-1,6-dimethyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)-3-pyridinyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide

C194H174F16N38O23S7 — CID 165057063

IUPAC2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-1,6-dimethyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)-3-pyridinyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1N)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cc(-c2ccn3nc(NC(=O)C4CC4)nc3c2)c2cn[nH]c2c1)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cnc(N)c(-c2ccc3nc(N)sc3c2)c1)c1ccccc1OC(F)(F)F.COc1nc(C)c(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OC(C)C.COc1nc(C)c(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OC1CCOC1.COc1nc(C)c(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cccnc1OC1CCOC1.Cc1c(-c2ccc3nc(N)sc3c2)cc(C(=O)NC(C)c2ccccc2OC(F)(F)F)c(=O)n1C.Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C27H22F3N7O3.C26H26N4O4S.C25H25N5O4S.C25H26N4O3S.C24H21F3N4O3S.C23H18F4N4O2S.2C22H18F3N5O2S/c1-14(18-4-2-3-5-22(18)40-27(28,29)30)32-25(39)17-10-19(20-13-31-35-21(20)11-17)16-8-9-37-23(12-16)33-26(36-37)34-24(38)15-6-7-15;1-15-19(16-7-8-21-23(11-16)35-26(27)30-21)12-20(25(29-15)32-2)24(31)28-13-17-5-3-4-6-22(17)34-18-9-10-33-14-18;1-14-18(15-5-6-20-21(10-15)35-25(26)30-20)11-19(24(29-14)32-2)22(31)28-12-16-4-3-8-27-23(16)34-17-7-9-33-13-17;1-14(2)32-21-8-6-5-7-17(21)13-27-23(30)19-12-18(15(3)28-24(19)31-4)16-9-10-20-22(11-16)33-25(26)29-20;1-12(15-6-4-5-7-19(15)34-24(25,26)27)29-21(32)17-11-16(13(2)31(3)22(17)33)14-8-9-18-20(10-14)35-23(28)30-18;1-11-17(7-14(10-29-11)13-3-6-19-20(8-13)34-22(28)31-19)21(32)30-12(2)16-9-15(4-5-18(16)24)33-23(25,26)27;1-11(14-4-2-3-5-17(14)32-22(23,24)25)29-20(31)13-8-15(19(26)28-10-13)12-6-7-16-18(9-12)33-21(27)30-16;1-11(14-4-2-3-5-17(14)32-22(23,24)25)29-20(31)15-8-13(10-28-19(15)26)12-6-7-16-18(9-12)33-21(27)30-16/h2-5,8-15H,6-7H2,1H3,(H,31,35)(H,32,39)(H,34,36,38);3-8,11-12,18H,9-10,13-14H2,1-2H3,(H2,27,30)(H,28,31);3-6,8,10-11,17H,7,9,12-13H2,1-2H3,(H2,26,30)(H,28,31);5-12,14H,13H2,1-4H3,(H2,26,29)(H,27,30);4-12H,1-3H3,(H2,28,30)(H,29,32);3-10,12H,1-2H3,(H2,28,31)(H,30,32);2*2-11H,1H3,(H2,26,28)(H2,27,30)(H,29,31)
InChIKeyQPGDFWRXUYKAQP-UHFFFAOYSA-N
MW3934.21 g/mol
LogP38.64
Rot. Bonds48

About 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-1,6-dimethyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)-3-pyridinyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide

2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-1,6-dimethyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)-3-pyridinyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide (PubChem CID 165057063) has the molecular formula C194H174F16N38O23S7 and a molecular weight of 3934.21 g/mol. Its IUPAC name is 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-1,6-dimethyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)-3-pyridinyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-1,6-dimethyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)-3-pyridinyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
PubChem CID165057063
Molecular FormulaC194H174F16N38O23S7
Molecular Weight3934.21 g/mol
Exact Mass3931.14
IUPAC Name2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-1,6-dimethyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)-3-pyridinyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1N)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cc(-c2ccn3nc(NC(=O)C4CC4)nc3c2)c2cn[nH]c2c1)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cnc(N)c(-c2ccc3nc(N)sc3c2)c1)c1ccccc1OC(F)(F)F.COc1nc(C)c(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OC(C)C.COc1nc(C)c(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OC1CCOC1.COc1nc(C)c(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cccnc1OC1CCOC1.Cc1c(-c2ccc3nc(N)sc3c2)cc(C(=O)NC(C)c2ccccc2OC(F)(F)F)c(=O)n1C.Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C27H22F3N7O3.C26H26N4O4S.C25H25N5O4S.C25H26N4O3S.C24H21F3N4O3S.C23H18F4N4O2S.2C22H18F3N5O2S/c1-14(18-4-2-3-5-22(18)40-27(28,29)30)32-25(39)17-10-19(20-13-31-35-21(20)11-17)16-8-9-37-23(12-16)33-26(36-37)34-24(38)15-6-7-15;1-15-19(16-7-8-21-23(11-16)35-26(27)30-21)12-20(25(29-15)32-2)24(31)28-13-17-5-3-4-6-22(17)34-18-9-10-33-14-18;1-14-18(15-5-6-20-21(10-15)35-25(26)30-20)11-19(24(29-14)32-2)22(31)28-12-16-4-3-8-27-23(16)34-17-7-9-33-13-17;1-14(2)32-21-8-6-5-7-17(21)13-27-23(30)19-12-18(15(3)28-24(19)31-4)16-9-10-20-22(11-16)33-25(26)29-20;1-12(15-6-4-5-7-19(15)34-24(25,26)27)29-21(32)17-11-16(13(2)31(3)22(17)33)14-8-9-18-20(10-14)35-23(28)30-18;1-11-17(7-14(10-29-11)13-3-6-19-20(8-13)34-22(28)31-19)21(32)30-12(2)16-9-15(4-5-18(16)24)33-23(25,26)27;1-11(14-4-2-3-5-17(14)32-22(23,24)25)29-20(31)13-8-15(19(26)28-10-13)12-6-7-16-18(9-12)33-21(27)30-16;1-11(14-4-2-3-5-17(14)32-22(23,24)25)29-20(31)15-8-13(10-28-19(15)26)12-6-7-16-18(9-12)33-21(27)30-16/h2-5,8-15H,6-7H2,1H3,(H,31,35)(H,32,39)(H,34,36,38);3-8,11-12,18H,9-10,13-14H2,1-2H3,(H2,27,30)(H,28,31);3-6,8,10-11,17H,7,9,12-13H2,1-2H3,(H2,26,30)(H,28,31);5-12,14H,13H2,1-4H3,(H2,26,29)(H,27,30);4-12H,1-3H3,(H2,28,30)(H,29,32);3-10,12H,1-2H3,(H2,28,31)(H,30,32);2*2-11H,1H3,(H2,26,28)(H2,27,30)(H,29,31)
InChIKeyQPGDFWRXUYKAQP-UHFFFAOYSA-N
XLogP38.64
TPSA877.40 Ų
H-Bond Donors19
H-Bond Acceptors58
Rotatable Bonds48
Heavy Atoms278
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003934.21
LogP ≤ 538.64
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1058

Analyze 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-1,6-dimethyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)-3-pyridinyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-1,6-dimethyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)-3-pyridinyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide?
The IUPAC name of 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-1,6-dimethyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)-3-pyridinyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide (CID 165057063) is 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-1,6-dimethyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)-3-pyridinyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide.
What is the SMILES notation for 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-1,6-dimethyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)-3-pyridinyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide?
The canonical SMILES for 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-1,6-dimethyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)-3-pyridinyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide is CC(NC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1N)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cc(-c2ccn3nc(NC(=O)C4CC4)nc3c2)c2cn[nH]c2c1)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cnc(N)c(-c2ccc3nc(N)sc3c2)c1)c1ccccc1OC(F)(F)F.COc1nc(C)c(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OC(C)C.COc1nc(C)c(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OC1CCOC1.COc1nc(C)c(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cccnc1OC1CCOC1.Cc1c(-c2ccc3nc(N)sc3c2)cc(C(=O)NC(C)c2ccccc2OC(F)(F)F)c(=O)n1C.Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-1,6-dimethyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)-3-pyridinyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide?
The InChIKey is QPGDFWRXUYKAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N7O3.C26H26N4O4S.C25H25N5O4S.C25H26N4O3S.C24H21F3N4O3S.C23H18F4N4O2S.2C22H18F3N5O2S/c1-14(18-4-2-3-5-22(18)40-27(28,29)30)32-25(39)17-10-19(20-13-31-35-21(20)11-17)16-8-9-37-23(12-16)33-26(36-37)34-24(38)15-6-7-15;1-15-19(16-7-8-21-23(11-16)35-26(27)30-21)12-20(25(29-15)32-2)24(31)28-13-17-5-3-4-6-22(17)34-18-9-10-33-14-18;1-14-18(15-5-6-20-21(10-15)35-25(26)30-20)11-19(24(29-14)32-2)22(31)28-12-16-4-3-8-27-23(16)34-17-7-9-33-13-17;1-14(2)32-21-8-6-5-7-17(21)13-27-23(30)19-12-18(15(3)28-24(19)31-4)16-9-10-20-22(11-16)33-25(26)29-20;1-12(15-6-4-5-7-19(15)34-24(25,26)27)29-21(32)17-11-16(13(2)31(3)22(17)33)14-8-9-18-20(10-14)35-23(28)30-18;1-11-17(7-14(10-29-11)13-3-6-19-20(8-13)34-22(28)31-19)21(32)30-12(2)16-9-15(4-5-18(16)24)33-23(25,26)27;1-11(14-4-2-3-5-17(14)32-22(23,24)25)29-20(31)13-8-15(19(26)28-10-13)12-6-7-16-18(9-12)33-21(27)30-16;1-11(14-4-2-3-5-17(14)32-22(23,24)25)29-20(31)15-8-13(10-28-19(15)26)12-6-7-16-18(9-12)33-21(27)30-16/h2-5,8-15H,6-7H2,1H3,(H,31,35)(H,32,39)(H,34,36,38);3-8,11-12,18H,9-10,13-14H2,1-2H3,(H2,27,30)(H,28,31);3-6,8,10-11,17H,7,9,12-13H2,1-2H3,(H2,26,30)(H,28,31);5-12,14H,13H2,1-4H3,(H2,26,29)(H,27,30);4-12H,1-3H3,(H2,28,30)(H,29,32);3-10,12H,1-2H3,(H2,28,31)(H,30,32);2*2-11H,1H3,(H2,26,28)(H2,27,30)(H,29,31).
What are the key properties of 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-1,6-dimethyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)-3-pyridinyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide?
2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-1,6-dimethyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)-3-pyridinyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide has a molecular weight of 3934.21 g/mol, XLogP of 38.64, 48 rotatable bonds, 19 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-1,6-dimethyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[[2-(oxolan-3-yloxy)-3-pyridinyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 165057063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).