acetic acid;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide

C130H127F15N24O14 — CID 159344425

IUPACacetic acid;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
SMILESCC(=O)O.CC(=O)O.CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3cccnc3c2)cn1.CN1CCN(c2nc(C(F)(F)F)ccc2/C=C/C(=O)Nc2ccc3[nH]ccc3c2)CC1.CN1CCN(c2nc(C(F)(F)F)ccc2/C=C/C(=O)Nc2ccc3c(c2)OCCO3)CC1.O=C(/C=C/c1ccc(C(F)(F)F)nc1)Nc1ccc2[nH]ccc2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCC(O)CC1)Nc1cnc2[nH]ccc2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCC(O)CC1)Nc1cnc2ccccc2c1
InChIInChI=1S/C23H21F3N4O2.C22H22F3N5O.C22H23F3N4O3.C21H20F3N5O2.C21H21N3O.C17H12F3N3O.2C2H4O2/c24-23(25,26)20-7-5-15(22(29-20)30-11-9-18(31)10-12-30)6-8-21(32)28-17-13-16-3-1-2-4-19(16)27-14-17;1-29-10-12-30(13-11-29)21-15(2-6-19(28-21)22(23,24)25)3-7-20(31)27-17-4-5-18-16(14-17)8-9-26-18;1-28-8-10-29(11-9-28)21-15(2-6-19(27-21)22(23,24)25)3-7-20(30)26-16-4-5-17-18(14-16)32-13-12-31-17;22-21(23,24)17-3-1-13(20(28-17)29-9-6-16(30)7-10-29)2-4-18(31)27-15-11-14-5-8-25-19(14)26-12-15;1-21(2,3)19-10-6-15(14-23-19)7-11-20(25)24-17-9-8-16-5-4-12-22-18(16)13-17;18-17(19,20)15-5-1-11(10-22-15)2-6-16(24)23-13-3-4-14-12(9-13)7-8-21-14;2*1-2(3)4/h1-8,13-14,18,31H,9-12H2,(H,28,32);2-9,14,26H,10-13H2,1H3,(H,27,31);2-7,14H,8-13H2,1H3,(H,26,30);1-5,8,11-12,16,30H,6-7,9-10H2,(H,25,26)(H,27,31);4-14H,1-3H3,(H,24,25);1-10,21H,(H,23,24);2*1H3,(H,3,4)/b8-6+;2*7-3+;4-2+;11-7+;6-2+;;
InChIKeyDAWFJZFGHMSCTJ-CWRWUWQZSA-N
MW2534.57 g/mol
LogP24.11
Rot. Bonds22

About acetic acid;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide

acetic acid;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide (PubChem CID 159344425) has the molecular formula C130H127F15N24O14 and a molecular weight of 2534.57 g/mol. Its IUPAC name is acetic acid;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Nameacetic acid;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
PubChem CID159344425
Molecular FormulaC130H127F15N24O14
Molecular Weight2534.57 g/mol
Exact Mass2532.97
IUPAC Nameacetic acid;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
SMILESCC(=O)O.CC(=O)O.CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3cccnc3c2)cn1.CN1CCN(c2nc(C(F)(F)F)ccc2/C=C/C(=O)Nc2ccc3[nH]ccc3c2)CC1.CN1CCN(c2nc(C(F)(F)F)ccc2/C=C/C(=O)Nc2ccc3c(c2)OCCO3)CC1.O=C(/C=C/c1ccc(C(F)(F)F)nc1)Nc1ccc2[nH]ccc2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCC(O)CC1)Nc1cnc2[nH]ccc2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCC(O)CC1)Nc1cnc2ccccc2c1
InChIInChI=1S/C23H21F3N4O2.C22H22F3N5O.C22H23F3N4O3.C21H20F3N5O2.C21H21N3O.C17H12F3N3O.2C2H4O2/c24-23(25,26)20-7-5-15(22(29-20)30-11-9-18(31)10-12-30)6-8-21(32)28-17-13-16-3-1-2-4-19(16)27-14-17;1-29-10-12-30(13-11-29)21-15(2-6-19(28-21)22(23,24)25)3-7-20(31)27-17-4-5-18-16(14-17)8-9-26-18;1-28-8-10-29(11-9-28)21-15(2-6-19(27-21)22(23,24)25)3-7-20(30)26-16-4-5-17-18(14-16)32-13-12-31-17;22-21(23,24)17-3-1-13(20(28-17)29-9-6-16(30)7-10-29)2-4-18(31)27-15-11-14-5-8-25-19(14)26-12-15;1-21(2,3)19-10-6-15(14-23-19)7-11-20(25)24-17-9-8-16-5-4-12-22-18(16)13-17;18-17(19,20)15-5-1-11(10-22-15)2-6-16(24)23-13-3-4-14-12(9-13)7-8-21-14;2*1-2(3)4/h1-8,13-14,18,31H,9-12H2,(H,28,32);2-9,14,26H,10-13H2,1H3,(H,27,31);2-7,14H,8-13H2,1H3,(H,26,30);1-5,8,11-12,16,30H,6-7,9-10H2,(H,25,26)(H,27,31);4-14H,1-3H3,(H,24,25);1-10,21H,(H,23,24);2*1H3,(H,3,4)/b8-6+;2*7-3+;4-2+;11-7+;6-2+;;
InChIKeyDAWFJZFGHMSCTJ-CWRWUWQZSA-N
XLogP24.11
TPSA490.94 Ų
H-Bond Donors13
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002534.57
LogP ≤ 524.11
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze acetic acid;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

3-(4-tert-butylphenyl)-N-[6-(2-hydroxyethoxy)-3-pyridinyl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-6-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide;N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide
CID 157269623
3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(2,3,5,6-tetrahydro-1,4-diazepin-4-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide;N-(1H-indol-5-yl)-3-[2-(2,3,5,6-tetrahydro-1,4-diazepin-4-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 157910321
3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(2,3,5,6-tetrahydro-1,4-diazepin-4-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-[6-(2-hydroxyethoxy)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylpropanamide;N-(1H-indol-5-yl)-3-[2-(2,3,5,6-tetrahydro-1,4-diazepin-4-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 158358233
3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide
CID 158473571
3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide
CID 159170657
3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(3,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide
CID 159182209
tert-butyl N-[1-[3-[3-(1H-indol-5-ylamino)-3-oxopropyl]-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(6-tert-butyl-3-pyridinyl)-N-(1H-indol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;3-[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-indol-5-yl)propanamide;N-(1H-indol-5-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide;N-(1H-indol-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 159203453
(E)-4,4-difluoro-8-morpholin-4-yl-N-[4-[(2-phenylmethoxy-1H-indol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]oct-2-enamide;methane;(E)-8-morpholin-4-yl-4-oxo-N-[4-[(2-phenylmethoxy-1H-indol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]oct-2-enamide;3-morpholin-4-ylpropyl (E)-4-oxo-4-[[4-[(2-phenylmethoxy-1H-indol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]amino]but-2-enoate
CID 159372656
(E)-3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhex-2-enamide;(E)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hex-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-iodo-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;dihydrochloride
CID 159592103
N-(2,2-difluoroethyl)-2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[6,7-dimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen
CID 159643679
6,7-dimethoxy-2-phenylquinazolin-4-amine;6,7-dimethoxy-2-phenyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinazoline;N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-phenylquinazolin-4-amine;2-(1H-indol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine
CID 160317505
N-(2-acetamido-5-methoxyphenyl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(2-methylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)propanamide;ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-1H-indole-3-carboxylate;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide
CID 160446222

Frequently Asked Questions

What is the IUPAC name of acetic acid;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of acetic acid;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide (CID 159344425) is acetic acid;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for acetic acid;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for acetic acid;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide is CC(=O)O.CC(=O)O.CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3cccnc3c2)cn1.CN1CCN(c2nc(C(F)(F)F)ccc2/C=C/C(=O)Nc2ccc3[nH]ccc3c2)CC1.CN1CCN(c2nc(C(F)(F)F)ccc2/C=C/C(=O)Nc2ccc3c(c2)OCCO3)CC1.O=C(/C=C/c1ccc(C(F)(F)F)nc1)Nc1ccc2[nH]ccc2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCC(O)CC1)Nc1cnc2[nH]ccc2c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCC(O)CC1)Nc1cnc2ccccc2c1.
What is the InChIKey of acetic acid;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
The InChIKey is DAWFJZFGHMSCTJ-CWRWUWQZSA-N. The full InChI is InChI=1S/C23H21F3N4O2.C22H22F3N5O.C22H23F3N4O3.C21H20F3N5O2.C21H21N3O.C17H12F3N3O.2C2H4O2/c24-23(25,26)20-7-5-15(22(29-20)30-11-9-18(31)10-12-30)6-8-21(32)28-17-13-16-3-1-2-4-19(16)27-14-17;1-29-10-12-30(13-11-29)21-15(2-6-19(28-21)22(23,24)25)3-7-20(31)27-17-4-5-18-16(14-17)8-9-26-18;1-28-8-10-29(11-9-28)21-15(2-6-19(27-21)22(23,24)25)3-7-20(30)26-16-4-5-17-18(14-16)32-13-12-31-17;22-21(23,24)17-3-1-13(20(28-17)29-9-6-16(30)7-10-29)2-4-18(31)27-15-11-14-5-8-25-19(14)26-12-15;1-21(2,3)19-10-6-15(14-23-19)7-11-20(25)24-17-9-8-16-5-4-12-22-18(16)13-17;18-17(19,20)15-5-1-11(10-22-15)2-6-16(24)23-13-3-4-14-12(9-13)7-8-21-14;2*1-2(3)4/h1-8,13-14,18,31H,9-12H2,(H,28,32);2-9,14,26H,10-13H2,1H3,(H,27,31);2-7,14H,8-13H2,1H3,(H,26,30);1-5,8,11-12,16,30H,6-7,9-10H2,(H,25,26)(H,27,31);4-14H,1-3H3,(H,24,25);1-10,21H,(H,23,24);2*1H3,(H,3,4)/b8-6+;2*7-3+;4-2+;11-7+;6-2+;;.
What are the key properties of acetic acid;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide?
acetic acid;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide has a molecular weight of 2534.57 g/mol, XLogP of 24.11, 22 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(E)-3-(6-tert-butyl-3-pyridinyl)-N-quinolin-7-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide;(E)-3-[2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-3-ylprop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-N-(1H-indol-5-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 159344425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).