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

C249H278Br2Cl7F2N37O18 — CID 167312562

IUPAC3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide
SMILESCC(C)CCC(NC(=O)C(C#N)=Cc1nc(Cl)ccc1Cl)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)C(C#N)=Cc1ccc2cccc(Cl)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)C(C#N)=Cc1ccc2cccc(O)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)C(C#N)=Cc1ccc2ccccc2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)C(C#N)=Cc1ccc2cccnc2n1)c1ccccc1.CCCC(NC(=O)C(C#N)=Cc1nc(Br)ccc1F)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)C(C#N)=Cc1nc(Br)ccc1F)c1ccc(OCCN2CCN(C)CC2)cc1.CCCC(NC(=O)C(C#N)=Cc1nc(Cl)ccc1Cl)c1ccc(OCCN2CCCCC2)cc1.N#CC(=Cc1nc(Cl)ccc1Cl)C(=O)NC(CCc1ccccc1)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C31H32Cl2N4O2.C30H33ClN4O2.C30H34N4O3.C30H34N4O2.C28H34Cl2N4O2.C26H31BrFN5O2.C26H30BrFN4O2.C26H30Cl2N4O2.C22H20N4O/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;1-2-6-23(31-26(33)20(18-29)17-24-22(27)11-12-25(28)30-24)19-7-9-21(10-8-19)34-16-15-32-13-4-3-5-14-32;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);2*7-12,17,23H,2-6,13-16H2,1H3,(H,31,33);3-6,8-14,20H,2,7H2,1H3,(H,26,27)
InChIKeyPFXXSSUGMGVDLB-UHFFFAOYSA-N
MW4523.18 g/mol
LogP50.05
Rot. Bonds88

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

3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide (PubChem CID 167312562) has the molecular formula C249H278Br2Cl7F2N37O18 and a molecular weight of 4523.18 g/mol. Its IUPAC name is 3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide.

Molecular Properties

Compound Name3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide
PubChem CID167312562
Molecular FormulaC249H278Br2Cl7F2N37O18
Molecular Weight4523.18 g/mol
Exact Mass4514.81
IUPAC Name3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide
SMILESCC(C)CCC(NC(=O)C(C#N)=Cc1nc(Cl)ccc1Cl)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)C(C#N)=Cc1ccc2cccc(Cl)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)C(C#N)=Cc1ccc2cccc(O)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)C(C#N)=Cc1ccc2ccccc2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)C(C#N)=Cc1ccc2cccnc2n1)c1ccccc1.CCCC(NC(=O)C(C#N)=Cc1nc(Br)ccc1F)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)C(C#N)=Cc1nc(Br)ccc1F)c1ccc(OCCN2CCN(C)CC2)cc1.CCCC(NC(=O)C(C#N)=Cc1nc(Cl)ccc1Cl)c1ccc(OCCN2CCCCC2)cc1.N#CC(=Cc1nc(Cl)ccc1Cl)C(=O)NC(CCc1ccccc1)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C31H32Cl2N4O2.C30H33ClN4O2.C30H34N4O3.C30H34N4O2.C28H34Cl2N4O2.C26H31BrFN5O2.C26H30BrFN4O2.C26H30Cl2N4O2.C22H20N4O/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;1-2-6-23(31-26(33)20(18-29)17-24-22(27)11-12-25(28)30-24)19-7-9-21(10-8-19)34-16-15-32-13-4-3-5-14-32;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);2*7-12,17,23H,2-6,13-16H2,1H3,(H,31,33);3-6,8-14,20H,2,7H2,1H3,(H,26,27)
InChIKeyPFXXSSUGMGVDLB-UHFFFAOYSA-N
XLogP50.05
TPSA728.14 Ų
H-Bond Donors10
H-Bond Acceptors46
Rotatable Bonds88
Heavy Atoms315
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004523.18
LogP ≤ 550.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1046

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide?
The IUPAC name of 3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide (CID 167312562) is 3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide.
What is the SMILES notation for 3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide?
The canonical SMILES for 3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide is CC(C)CCC(NC(=O)C(C#N)=Cc1nc(Cl)ccc1Cl)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)C(C#N)=Cc1ccc2cccc(Cl)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)C(C#N)=Cc1ccc2cccc(O)c2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)C(C#N)=Cc1ccc2ccccc2n1)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)C(C#N)=Cc1ccc2cccnc2n1)c1ccccc1.CCCC(NC(=O)C(C#N)=Cc1nc(Br)ccc1F)c1ccc(OCCN2CCCCC2)cc1.CCCC(NC(=O)C(C#N)=Cc1nc(Br)ccc1F)c1ccc(OCCN2CCN(C)CC2)cc1.CCCC(NC(=O)C(C#N)=Cc1nc(Cl)ccc1Cl)c1ccc(OCCN2CCCCC2)cc1.N#CC(=Cc1nc(Cl)ccc1Cl)C(=O)NC(CCc1ccccc1)c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide?
The InChIKey is PFXXSSUGMGVDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32Cl2N4O2.C30H33ClN4O2.C30H34N4O3.C30H34N4O2.C28H34Cl2N4O2.C26H31BrFN5O2.C26H30BrFN4O2.C26H30Cl2N4O2.C22H20N4O/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;1-2-6-23(31-26(33)20(18-29)17-24-22(27)11-12-25(28)30-24)19-7-9-21(10-8-19)34-16-15-32-13-4-3-5-14-32;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);2*7-12,17,23H,2-6,13-16H2,1H3,(H,31,33);3-6,8-14,20H,2,7H2,1H3,(H,26,27).
What are the key properties of 3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide?
3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide has a molecular weight of 4523.18 g/mol, XLogP of 50.05, 88 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butyl]prop-2-enamide;3-(6-bromo-3-fluoro-2-pyridinyl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;3-(8-chloroquinolin-2-yl)-2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[4-methyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pentyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propyl]prop-2-enamide;2-cyano-3-(3,6-dichloro-2-pyridinyl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(8-hydroxyquinolin-2-yl)-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]prop-2-enamide;2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-phenylbutyl)prop-2-enamide;2-cyano-N-[1-[4-(2-piperidin-1-ylethoxy)phenyl]butyl]-3-quinolin-2-ylprop-2-enamide is sourced from PubChem (CID 167312562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).