(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide;methane

C249H280Br2Cl7F2N37O19 — CID 158163195

IUPAC(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide;methane
SMILESC.CC(C)CCC(NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2cccc(Cl)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2cccc(O)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2ccccc2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2cccnc2n1)c1ccccc1.CCCC(NC(=O)/C(C#N)=C/c1nc(Br)ccc1F)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1nc(Br)ccc1F)c1ccc(OCCN2CCN(C)CC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1.N#C/C(=C\c1nc(Cl)ccc1Cl)C(=O)NC(CCc1ccccc1)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C31H32Cl2N4O2.C30H33ClN4O2.C30H34N4O3.C30H34N4O2.C28H34Cl2N4O2.C26H31BrFN5O2.C26H30BrFN4O2.C25H28Cl2N4O3.C22H20N4O.CH4/c32-27-14-16-30(33)35-29(27)21-25(22-34)31(38)36-28(15-9-23-7-3-1-4-8-23)24-10-12-26(13-11-24)39-20-19-37-17-5-2-6-18-37;1-2-7-28(22-11-14-26(15-12-22)37-19-18-35-16-4-3-5-17-35)34-30(36)24(21-32)20-25-13-10-23-8-6-9-27(31)29(23)33-25;1-2-7-27(22-11-14-26(15-12-22)37-19-18-34-16-4-3-5-17-34)33-30(36)24(21-31)20-25-13-10-23-8-6-9-28(35)29(23)32-25;1-2-8-28(24-12-15-27(16-13-24)36-20-19-34-17-6-3-7-18-34)33-30(35)25(22-31)21-26-14-11-23-9-4-5-10-29(23)32-26;1-20(2)6-12-25(33-28(35)22(19-31)18-26-24(29)11-13-27(30)32-26)21-7-9-23(10-8-21)36-17-16-34-14-4-3-5-15-34;1-3-4-23(31-26(34)20(18-29)17-24-22(28)9-10-25(27)30-24)19-5-7-21(8-6-19)35-16-15-33-13-11-32(2)12-14-33;1-2-6-23(31-26(33)20(18-29)17-24-22(28)11-12-25(27)30-24)19-7-9-21(10-8-19)34-16-15-32-13-4-3-5-14-32;1-2-3-22(30-25(32)19(17-28)16-23-21(26)8-9-24(27)29-23)18-4-6-20(7-5-18)34-15-12-31-10-13-33-14-11-31;1-2-7-20(16-8-4-3-5-9-16)26-22(27)18(15-23)14-19-12-11-17-10-6-13-24-21(17)25-19;/h1,3-4,7-8,10-14,16,21,28H,2,5-6,9,15,17-20H2,(H,36,38);6,8-15,20,28H,2-5,7,16-19H2,1H3,(H,34,36);6,8-15,20,27,35H,2-5,7,16-19H2,1H3,(H,33,36);4-5,9-16,21,28H,2-3,6-8,17-20H2,1H3,(H,33,35);7-11,13,18,20,25H,3-6,12,14-17H2,1-2H3,(H,33,35);5-10,17,23H,3-4,11-16H2,1-2H3,(H,31,34);7-12,17,23H,2-6,13-16H2,1H3,(H,31,33);4-9,16,22H,2-3,10-15H2,1H3,(H,30,32);3-6,8-14,20H,2,7H2,1H3,(H,26,27);1H4/b25-21+;2*24-20+;25-21+;22-18+;2*20-17+;19-16+;18-14+;
InChIKeyFWNJCLPRLLYQEN-OPQHROFTSA-N
MW4541.19 g/mol
LogP49.54
Rot. Bonds88

About (E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide;methane

(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide;methane (PubChem CID 158163195) has the molecular formula C249H280Br2Cl7F2N37O19 and a molecular weight of 4541.19 g/mol. Its IUPAC name is (E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide;methane.

Molecular Properties

Compound Name(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide;methane
PubChem CID158163195
Molecular FormulaC249H280Br2Cl7F2N37O19
Molecular Weight4541.19 g/mol
Exact Mass4532.82
IUPAC Name(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide;methane
SMILESC.CC(C)CCC(NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2cccc(Cl)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2cccc(O)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2ccccc2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2cccnc2n1)c1ccccc1.CCCC(NC(=O)/C(C#N)=C/c1nc(Br)ccc1F)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1nc(Br)ccc1F)c1ccc(OCCN2CCN(C)CC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1.N#C/C(=C\c1nc(Cl)ccc1Cl)C(=O)NC(CCc1ccccc1)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C31H32Cl2N4O2.C30H33ClN4O2.C30H34N4O3.C30H34N4O2.C28H34Cl2N4O2.C26H31BrFN5O2.C26H30BrFN4O2.C25H28Cl2N4O3.C22H20N4O.CH4/c32-27-14-16-30(33)35-29(27)21-25(22-34)31(38)36-28(15-9-23-7-3-1-4-8-23)24-10-12-26(13-11-24)39-20-19-37-17-5-2-6-18-37;1-2-7-28(22-11-14-26(15-12-22)37-19-18-35-16-4-3-5-17-35)34-30(36)24(21-32)20-25-13-10-23-8-6-9-27(31)29(23)33-25;1-2-7-27(22-11-14-26(15-12-22)37-19-18-34-16-4-3-5-17-34)33-30(36)24(21-31)20-25-13-10-23-8-6-9-28(35)29(23)32-25;1-2-8-28(24-12-15-27(16-13-24)36-20-19-34-17-6-3-7-18-34)33-30(35)25(22-31)21-26-14-11-23-9-4-5-10-29(23)32-26;1-20(2)6-12-25(33-28(35)22(19-31)18-26-24(29)11-13-27(30)32-26)21-7-9-23(10-8-21)36-17-16-34-14-4-3-5-15-34;1-3-4-23(31-26(34)20(18-29)17-24-22(28)9-10-25(27)30-24)19-5-7-21(8-6-19)35-16-15-33-13-11-32(2)12-14-33;1-2-6-23(31-26(33)20(18-29)17-24-22(28)11-12-25(27)30-24)19-7-9-21(10-8-19)34-16-15-32-13-4-3-5-14-32;1-2-3-22(30-25(32)19(17-28)16-23-21(26)8-9-24(27)29-23)18-4-6-20(7-5-18)34-15-12-31-10-13-33-14-11-31;1-2-7-20(16-8-4-3-5-9-16)26-22(27)18(15-23)14-19-12-11-17-10-6-13-24-21(17)25-19;/h1,3-4,7-8,10-14,16,21,28H,2,5-6,9,15,17-20H2,(H,36,38);6,8-15,20,28H,2-5,7,16-19H2,1H3,(H,34,36);6,8-15,20,27,35H,2-5,7,16-19H2,1H3,(H,33,36);4-5,9-16,21,28H,2-3,6-8,17-20H2,1H3,(H,33,35);7-11,13,18,20,25H,3-6,12,14-17H2,1-2H3,(H,33,35);5-10,17,23H,3-4,11-16H2,1-2H3,(H,31,34);7-12,17,23H,2-6,13-16H2,1H3,(H,31,33);4-9,16,22H,2-3,10-15H2,1H3,(H,30,32);3-6,8-14,20H,2,7H2,1H3,(H,26,27);1H4/b25-21+;2*24-20+;25-21+;22-18+;2*20-17+;19-16+;18-14+;
InChIKeyFWNJCLPRLLYQEN-OPQHROFTSA-N
XLogP49.54
TPSA737.37 Ų
H-Bond Donors10
H-Bond Acceptors47
Rotatable Bonds88
Heavy Atoms316
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004541.19
LogP ≤ 549.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1047

Analyze (E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide;methane?
The IUPAC name of (E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide;methane (CID 158163195) is (E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide;methane.
What is the SMILES notation for (E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide;methane?
The canonical SMILES for (E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide;methane is C.CC(C)CCC(NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2cccc(Cl)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2cccc(O)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2ccccc2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1ccc2cccnc2n1)c1ccccc1.CCCC(NC(=O)/C(C#N)=C/c1nc(Br)ccc1F)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1nc(Br)ccc1F)c1ccc(OCCN2CCN(C)CC2)cc1.CCCC(NC(=O)/C(C#N)=C/c1nc(Cl)ccc1Cl)c1ccc(OCCN2CCOCC2)cc1.N#C/C(=C\c1nc(Cl)ccc1Cl)C(=O)NC(CCc1ccccc1)c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of (E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide;methane?
The InChIKey is FWNJCLPRLLYQEN-OPQHROFTSA-N. The full InChI is InChI=1S/C31H32Cl2N4O2.C30H33ClN4O2.C30H34N4O3.C30H34N4O2.C28H34Cl2N4O2.C26H31BrFN5O2.C26H30BrFN4O2.C25H28Cl2N4O3.C22H20N4O.CH4/c32-27-14-16-30(33)35-29(27)21-25(22-34)31(38)36-28(15-9-23-7-3-1-4-8-23)24-10-12-26(13-11-24)39-20-19-37-17-5-2-6-18-37;1-2-7-28(22-11-14-26(15-12-22)37-19-18-35-16-4-3-5-17-35)34-30(36)24(21-32)20-25-13-10-23-8-6-9-27(31)29(23)33-25;1-2-7-27(22-11-14-26(15-12-22)37-19-18-34-16-4-3-5-17-34)33-30(36)24(21-31)20-25-13-10-23-8-6-9-28(35)29(23)32-25;1-2-8-28(24-12-15-27(16-13-24)36-20-19-34-17-6-3-7-18-34)33-30(35)25(22-31)21-26-14-11-23-9-4-5-10-29(23)32-26;1-20(2)6-12-25(33-28(35)22(19-31)18-26-24(29)11-13-27(30)32-26)21-7-9-23(10-8-21)36-17-16-34-14-4-3-5-15-34;1-3-4-23(31-26(34)20(18-29)17-24-22(28)9-10-25(27)30-24)19-5-7-21(8-6-19)35-16-15-33-13-11-32(2)12-14-33;1-2-6-23(31-26(33)20(18-29)17-24-22(28)11-12-25(27)30-24)19-7-9-21(10-8-19)34-16-15-32-13-4-3-5-14-32;1-2-3-22(30-25(32)19(17-28)16-23-21(26)8-9-24(27)29-23)18-4-6-20(7-5-18)34-15-12-31-10-13-33-14-11-31;1-2-7-20(16-8-4-3-5-9-16)26-22(27)18(15-23)14-19-12-11-17-10-6-13-24-21(17)25-19;/h1,3-4,7-8,10-14,16,21,28H,2,5-6,9,15,17-20H2,(H,36,38);6,8-15,20,28H,2-5,7,16-19H2,1H3,(H,34,36);6,8-15,20,27,35H,2-5,7,16-19H2,1H3,(H,33,36);4-5,9-16,21,28H,2-3,6-8,17-20H2,1H3,(H,33,35);7-11,13,18,20,25H,3-6,12,14-17H2,1-2H3,(H,33,35);5-10,17,23H,3-4,11-16H2,1-2H3,(H,31,34);7-12,17,23H,2-6,13-16H2,1H3,(H,31,33);4-9,16,22H,2-3,10-15H2,1H3,(H,30,32);3-6,8-14,20H,2,7H2,1H3,(H,26,27);1H4/b25-21+;2*24-20+;25-21+;22-18+;2*20-17+;19-16+;18-14+;.
What are the key properties of (E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide;methane?
(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide;methane has a molecular weight of 4541.19 g/mol, XLogP of 49.54, 88 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;(E)-3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;(E)-2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;(E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;(E)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide;methane is sourced from PubChem (CID 158163195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).