(E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide

C120H111F12N21O6S — CID 157061992

IUPAC(E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3cc[nH]c3c2)cn1.CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3ncsc3c2)cn1.CN(C)c1nc(C(F)(F)F)ccc1/C=C/C(=O)Nc1ccc2[nH]ccc2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1)Nc1ccc2cc[nH]c2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2[nH]ccc2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cnc2ccccc2c1
InChIInChI=1S/C23H21F3N4O.C22H21F3N4O.C20H21N3O.C19H17F3N4O.C19H19N3OS.C17H12F3N3O/c24-23(25,26)20-10-8-16(22(29-20)30-12-4-1-5-13-30)9-11-21(31)28-18-14-17-6-2-3-7-19(17)27-15-18;23-22(24,25)19-8-4-15(21(28-19)29-12-2-1-3-13-29)5-9-20(30)27-17-6-7-18-16(14-17)10-11-26-18;1-20(2,3)18-8-4-14(13-22-18)5-9-19(24)23-16-7-6-15-10-11-21-17(15)12-16;1-26(2)18-12(3-7-16(25-18)19(20,21)22)4-8-17(27)24-14-5-6-15-13(11-14)9-10-23-15;1-19(2,3)17-8-4-13(11-20-17)5-9-18(23)22-14-6-7-15-16(10-14)24-12-21-15;18-17(19,20)15-5-1-11(10-22-15)2-6-16(24)23-13-4-3-12-7-8-21-14(12)9-13/h2-3,6-11,14-15H,1,4-5,12-13H2,(H,28,31);4-11,14,26H,1-3,12-13H2,(H,27,30);4-13,21H,1-3H3,(H,23,24);3-11,23H,1-2H3,(H,24,27);4-12H,1-3H3,(H,22,23);1-10,21H,(H,23,24)/b11-9+;2*9-5+;8-4+;9-5+;6-2+
InChIKeyABLADKCXKHZKHH-DUSKUDKWSA-N
MW2203.39 g/mol
LogP28.20
Rot. Bonds21

About (E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide

(E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide (PubChem CID 157061992) has the molecular formula C120H111F12N21O6S and a molecular weight of 2203.39 g/mol. Its IUPAC name is (E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide
PubChem CID157061992
Molecular FormulaC120H111F12N21O6S
Molecular Weight2203.39 g/mol
Exact Mass2201.86
IUPAC Name(E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3cc[nH]c3c2)cn1.CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3ncsc3c2)cn1.CN(C)c1nc(C(F)(F)F)ccc1/C=C/C(=O)Nc1ccc2[nH]ccc2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1)Nc1ccc2cc[nH]c2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2[nH]ccc2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cnc2ccccc2c1
InChIInChI=1S/C23H21F3N4O.C22H21F3N4O.C20H21N3O.C19H17F3N4O.C19H19N3OS.C17H12F3N3O/c24-23(25,26)20-10-8-16(22(29-20)30-12-4-1-5-13-30)9-11-21(31)28-18-14-17-6-2-3-7-19(17)27-15-18;23-22(24,25)19-8-4-15(21(28-19)29-12-2-1-3-13-29)5-9-20(30)27-17-6-7-18-16(14-17)10-11-26-18;1-20(2,3)18-8-4-14(13-22-18)5-9-19(24)23-16-7-6-15-10-11-21-17(15)12-16;1-26(2)18-12(3-7-16(25-18)19(20,21)22)4-8-17(27)24-14-5-6-15-13(11-14)9-10-23-15;1-19(2,3)17-8-4-13(11-20-17)5-9-18(23)22-14-6-7-15-16(10-14)24-12-21-15;18-17(19,20)15-5-1-11(10-22-15)2-6-16(24)23-13-4-3-12-7-8-21-14(12)9-13/h2-3,6-11,14-15H,1,4-5,12-13H2,(H,28,31);4-11,14,26H,1-3,12-13H2,(H,27,30);4-13,21H,1-3H3,(H,23,24);3-11,23H,1-2H3,(H,24,27);4-12H,1-3H3,(H,22,23);1-10,21H,(H,23,24)/b11-9+;2*9-5+;8-4+;9-5+;6-2+
InChIKeyABLADKCXKHZKHH-DUSKUDKWSA-N
XLogP28.20
TPSA350.60 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002203.39
LogP ≤ 528.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide with MolForge

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

Launch Full Analysis

Related Compounds

6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 157193776
(E)-N-(1,3-benzothiazol-6-yl)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide
CID 160358845
(E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide
CID 161221729
2,5-dimethyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(4-fluoro-2-methyl-1H-inden-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(7-phenyl-1,6-naphthyridin-5-yl)-6,7,8,9-tetrahydro-5H-carbazol-3-amine;7-phenyl-N-[2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-7-yl]-1,6-naphthyridin-5-amine
CID 164947162
3-(1,3-benzothiazol-6-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(3-methylbenzimidazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-methyl-1,3-benzothiazol-6-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(1H-1,2,4-triazol-5-yl)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 165064808
4-[6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[7-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine
CID 157079729
N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-purin-6-yl]sulfanyl]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl]phenyl]prop-2-enamide;N-[3-[[2-[[2-[(dimethylamino)methyl]quinolin-6-yl]amino]-7H-purin-6-yl]sulfanyl]phenyl]prop-2-enamide;N-[3-[[2-[[2-[(dimethylamino)methyl]quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl]phenyl]prop-2-enamide
CID 157985353
4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[7-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine
CID 160773699
4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[7-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]morpholine
CID 161138657
N-(1H-indol-6-yl)-7-phenyl-1,6-naphthyridin-5-amine;N-(1H-indol-7-yl)-7-phenyl-1,6-naphthyridin-5-amine;N-(3-methylbenzimidazol-5-yl)-7-phenyl-1,6-naphthyridin-5-amine;2-methyl-N-(7-phenyl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(7-phenyl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;7-phenyl-N-quinazolin-6-yl-1,6-naphthyridin-5-amine
CID 164955789
2-cyclopropyl-4-fluoro-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(2-cyclopropyl-1H-indol-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-3-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(3-fluorophenyl)-7-phenyl-1,6-naphthyridin-5-amine
CID 165013416
1-[4-[5-[(2-cyclopropyl-1,3-benzothiazol-6-yl)amino]-1,6-naphthyridin-7-yl]piperidin-1-yl]ethanone;2-cyclopropyl-N-[7-(1-methylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-methylsulfonylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(1-propan-2-ylpiperidin-4-yl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
CID 165048728

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide (CID 157061992) is (E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide is CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3cc[nH]c3c2)cn1.CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3ncsc3c2)cn1.CN(C)c1nc(C(F)(F)F)ccc1/C=C/C(=O)Nc1ccc2[nH]ccc2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1)Nc1ccc2cc[nH]c2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2[nH]ccc2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1cnc2ccccc2c1.
What is the InChIKey of (E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide?
The InChIKey is ABLADKCXKHZKHH-DUSKUDKWSA-N. The full InChI is InChI=1S/C23H21F3N4O.C22H21F3N4O.C20H21N3O.C19H17F3N4O.C19H19N3OS.C17H12F3N3O/c24-23(25,26)20-10-8-16(22(29-20)30-12-4-1-5-13-30)9-11-21(31)28-18-14-17-6-2-3-7-19(17)27-15-18;23-22(24,25)19-8-4-15(21(28-19)29-12-2-1-3-13-29)5-9-20(30)27-17-6-7-18-16(14-17)10-11-26-18;1-20(2,3)18-8-4-14(13-22-18)5-9-19(24)23-16-7-6-15-10-11-21-17(15)12-16;1-26(2)18-12(3-7-16(25-18)19(20,21)22)4-8-17(27)24-14-5-6-15-13(11-14)9-10-23-15;1-19(2,3)17-8-4-13(11-20-17)5-9-18(23)22-14-6-7-15-16(10-14)24-12-21-15;18-17(19,20)15-5-1-11(10-22-15)2-6-16(24)23-13-4-3-12-7-8-21-14(12)9-13/h2-3,6-11,14-15H,1,4-5,12-13H2,(H,28,31);4-11,14,26H,1-3,12-13H2,(H,27,30);4-13,21H,1-3H3,(H,23,24);3-11,23H,1-2H3,(H,24,27);4-12H,1-3H3,(H,22,23);1-10,21H,(H,23,24)/b11-9+;2*9-5+;8-4+;9-5+;6-2+.
What are the key properties of (E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide?
(E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide has a molecular weight of 2203.39 g/mol, XLogP of 28.20, 21 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-benzothiazol-6-yl)-3-(6-tert-butyl-3-pyridinyl)prop-2-enamide;(E)-3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)prop-2-enamide;(E)-3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide is sourced from PubChem (CID 157061992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).