5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

C192H165ClF20N34O21S7 — CID 165098312

IUPAC5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)cn(C)c1=O)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cnc(Cl)c(-c2ccc3nc(N)sc3c2)c1)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cncc(-c2ccc3nc(N)sc3c2)c1)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)cc1C(=O)N[C@H](C)c1ccccc1OC(F)(F)F.COc1ncc(C(=O)NC(C)c2ccccc2OC(F)(F)F)cc1-c1ccc2nc(N)sc2c1.COc1ncc(C(=O)NCc2cc(F)ccc2OC2CCCC2)cc1-c1ccc2nc(N)sc2c1.Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1c(F)cccc1OCC1CCCC1.Cc1ncc(C(=O)NC(C)c2ccccc2OC(F)(F)F)cc1-c1ccc2nc(N)sc2c1
InChIInChI=1S/C27H23F3N4O4S.C27H27FN4O2S.C26H25FN4O3S.C23H19F3N4O3S.C23H19F3N4O2S.C22H16ClF3N4O2S.C22H19F3N6O3.C22H17F3N4O2S/c1-14(18-5-3-4-6-21(18)38-27(28,29)30)32-24(36)19-11-17(13-31-25(19)37-2)16-9-10-20-22(12-16)39-26(33-20)34-23(35)15-7-8-15;1-16-20(11-19(13-30-16)18-9-10-23-25(12-18)35-27(29)32-23)26(33)31-14-21-22(28)7-4-8-24(21)34-15-17-5-2-3-6-17;1-33-25-20(15-6-8-21-23(12-15)35-26(28)31-21)11-17(14-30-25)24(32)29-13-16-10-18(27)7-9-22(16)34-19-4-2-3-5-19;1-12(15-5-3-4-6-18(15)33-23(24,25)26)29-20(31)14-9-16(21(32-2)28-11-14)13-7-8-17-19(10-13)34-22(27)30-17;1-12-17(14-7-8-18-20(10-14)33-22(27)30-18)9-15(11-28-12)21(31)29-13(2)16-5-3-4-6-19(16)32-23(24,25)26;1-11(14-4-2-3-5-17(14)32-22(24,25)26)29-20(31)13-8-15(19(23)28-10-13)12-6-7-16-18(9-12)33-21(27)30-16;1-12(15-5-3-4-6-17(15)34-22(23,24)25)27-19(32)16-9-14(11-30(2)20(16)33)13-7-8-31-18(10-13)28-21(26)29-31;1-12(16-4-2-3-5-18(16)31-22(23,24)25)28-20(30)15-8-14(10-27-11-15)13-6-7-17-19(9-13)32-21(26)29-17/h3-6,9-15H,7-8H2,1-2H3,(H,32,36)(H,33,34,35);4,7-13,17H,2-3,5-6,14-15H2,1H3,(H2,29,32)(H,31,33);6-12,14,19H,2-5,13H2,1H3,(H2,28,31)(H,29,32);3-12H,1-2H3,(H2,27,30)(H,29,31);3-11,13H,1-2H3,(H2,27,30)(H,29,31);2-11H,1H3,(H2,27,30)(H,29,31);3-12H,1-2H3,(H2,26,29)(H,27,32);2-12H,1H3,(H2,26,29)(H,28,30)/t14-;;;;;;;/m1......./s1
InChIKeyXWVKEWZXZZAWRW-DVDRBMSDSA-N
MW3924.53 g/mol
LogP42.69
Rot. Bonds48

About 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 165098312) has the molecular formula C192H165ClF20N34O21S7 and a molecular weight of 3924.53 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID165098312
Molecular FormulaC192H165ClF20N34O21S7
Molecular Weight3924.53 g/mol
Exact Mass3921.03
IUPAC Name5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)cn(C)c1=O)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cnc(Cl)c(-c2ccc3nc(N)sc3c2)c1)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cncc(-c2ccc3nc(N)sc3c2)c1)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)cc1C(=O)N[C@H](C)c1ccccc1OC(F)(F)F.COc1ncc(C(=O)NC(C)c2ccccc2OC(F)(F)F)cc1-c1ccc2nc(N)sc2c1.COc1ncc(C(=O)NCc2cc(F)ccc2OC2CCCC2)cc1-c1ccc2nc(N)sc2c1.Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1c(F)cccc1OCC1CCCC1.Cc1ncc(C(=O)NC(C)c2ccccc2OC(F)(F)F)cc1-c1ccc2nc(N)sc2c1
InChIInChI=1S/C27H23F3N4O4S.C27H27FN4O2S.C26H25FN4O3S.C23H19F3N4O3S.C23H19F3N4O2S.C22H16ClF3N4O2S.C22H19F3N6O3.C22H17F3N4O2S/c1-14(18-5-3-4-6-21(18)38-27(28,29)30)32-24(36)19-11-17(13-31-25(19)37-2)16-9-10-20-22(12-16)39-26(33-20)34-23(35)15-7-8-15;1-16-20(11-19(13-30-16)18-9-10-23-25(12-18)35-27(29)32-23)26(33)31-14-21-22(28)7-4-8-24(21)34-15-17-5-2-3-6-17;1-33-25-20(15-6-8-21-23(12-15)35-26(28)31-21)11-17(14-30-25)24(32)29-13-16-10-18(27)7-9-22(16)34-19-4-2-3-5-19;1-12(15-5-3-4-6-18(15)33-23(24,25)26)29-20(31)14-9-16(21(32-2)28-11-14)13-7-8-17-19(10-13)34-22(27)30-17;1-12-17(14-7-8-18-20(10-14)33-22(27)30-18)9-15(11-28-12)21(31)29-13(2)16-5-3-4-6-19(16)32-23(24,25)26;1-11(14-4-2-3-5-17(14)32-22(24,25)26)29-20(31)13-8-15(19(23)28-10-13)12-6-7-16-18(9-12)33-21(27)30-16;1-12(15-5-3-4-6-17(15)34-22(23,24)25)27-19(32)16-9-14(11-30(2)20(16)33)13-7-8-31-18(10-13)28-21(26)29-31;1-12(16-4-2-3-5-18(16)31-22(23,24)25)28-20(30)15-8-14(10-27-11-15)13-6-7-17-19(9-13)32-21(26)29-17/h3-6,9-15H,7-8H2,1-2H3,(H,32,36)(H,33,34,35);4,7-13,17H,2-3,5-6,14-15H2,1H3,(H2,29,32)(H,31,33);6-12,14,19H,2-5,13H2,1H3,(H2,28,31)(H,29,32);3-12H,1-2H3,(H2,27,30)(H,29,31);3-11,13H,1-2H3,(H2,27,30)(H,29,31);2-11H,1H3,(H2,27,30)(H,29,31);3-12H,1-2H3,(H2,26,29)(H,27,32);2-12H,1H3,(H2,26,29)(H,28,30)/t14-;;;;;;;/m1......./s1
InChIKeyXWVKEWZXZZAWRW-DVDRBMSDSA-N
XLogP42.69
TPSA778.22 Ų
H-Bond Donors16
H-Bond Acceptors53
Rotatable Bonds48
Heavy Atoms275
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003924.53
LogP ≤ 542.69
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (CID 165098312) is 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cc(-c2ccn3nc(N)nc3c2)cn(C)c1=O)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cnc(Cl)c(-c2ccc3nc(N)sc3c2)c1)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cncc(-c2ccc3nc(N)sc3c2)c1)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)cc1C(=O)N[C@H](C)c1ccccc1OC(F)(F)F.COc1ncc(C(=O)NC(C)c2ccccc2OC(F)(F)F)cc1-c1ccc2nc(N)sc2c1.COc1ncc(C(=O)NCc2cc(F)ccc2OC2CCCC2)cc1-c1ccc2nc(N)sc2c1.Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1c(F)cccc1OCC1CCCC1.Cc1ncc(C(=O)NC(C)c2ccccc2OC(F)(F)F)cc1-c1ccc2nc(N)sc2c1.
What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is XWVKEWZXZZAWRW-DVDRBMSDSA-N. The full InChI is InChI=1S/C27H23F3N4O4S.C27H27FN4O2S.C26H25FN4O3S.C23H19F3N4O3S.C23H19F3N4O2S.C22H16ClF3N4O2S.C22H19F3N6O3.C22H17F3N4O2S/c1-14(18-5-3-4-6-21(18)38-27(28,29)30)32-24(36)19-11-17(13-31-25(19)37-2)16-9-10-20-22(12-16)39-26(33-20)34-23(35)15-7-8-15;1-16-20(11-19(13-30-16)18-9-10-23-25(12-18)35-27(29)32-23)26(33)31-14-21-22(28)7-4-8-24(21)34-15-17-5-2-3-6-17;1-33-25-20(15-6-8-21-23(12-15)35-26(28)31-21)11-17(14-30-25)24(32)29-13-16-10-18(27)7-9-22(16)34-19-4-2-3-5-19;1-12(15-5-3-4-6-18(15)33-23(24,25)26)29-20(31)14-9-16(21(32-2)28-11-14)13-7-8-17-19(10-13)34-22(27)30-17;1-12-17(14-7-8-18-20(10-14)33-22(27)30-18)9-15(11-28-12)21(31)29-13(2)16-5-3-4-6-19(16)32-23(24,25)26;1-11(14-4-2-3-5-17(14)32-22(24,25)26)29-20(31)13-8-15(19(23)28-10-13)12-6-7-16-18(9-12)33-21(27)30-16;1-12(15-5-3-4-6-17(15)34-22(23,24)25)27-19(32)16-9-14(11-30(2)20(16)33)13-7-8-31-18(10-13)28-21(26)29-31;1-12(16-4-2-3-5-18(16)31-22(23,24)25)28-20(30)15-8-14(10-27-11-15)13-6-7-17-19(9-13)32-21(26)29-17/h3-6,9-15H,7-8H2,1-2H3,(H,32,36)(H,33,34,35);4,7-13,17H,2-3,5-6,14-15H2,1H3,(H2,29,32)(H,31,33);6-12,14,19H,2-5,13H2,1H3,(H2,28,31)(H,29,32);3-12H,1-2H3,(H2,27,30)(H,29,31);3-11,13H,1-2H3,(H2,27,30)(H,29,31);2-11H,1H3,(H2,27,30)(H,29,31);3-12H,1-2H3,(H2,26,29)(H,27,32);2-12H,1H3,(H2,26,29)(H,28,30)/t14-;;;;;;;/m1......./s1.
What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?
5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 3924.53 g/mol, XLogP of 42.69, 48 rotatable bonds, 16 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopentylmethoxy)-6-fluorophenyl]methyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-6-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 165098312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).