(E)-3-(6-amino-3-pyridinyl)-N-[[3,4-dimethyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[2-[1-(3-fluoroazetidin-1-yl)ethenyl]cyclopropyl]-2-methylphenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-1-methylpyrrol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4-fluorophenyl)-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[3-methyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide

C203H200F5N25O12S4 — CID 159289522

IUPAC(E)-3-(6-amino-3-pyridinyl)-N-[[3,4-dimethyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[2-[1-(3-fluoroazetidin-1-yl)ethenyl]cyclopropyl]-2-methylphenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-1-methylpyrrol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4-fluorophenyl)-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[3-methyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide
SMILESC=C(C1CC1c1ccc(-c2sc(CNC(=O)/C=C/c3ccc(N)nc3)c(C)c2C)c(C)c1)N1CC(F)C1.Cc1c(CNC(=O)/C=C/c2ccc(N)nc2)sc(-c2ccc(-c3ccc(C(=O)N4CC(C)C4)cc3)cc2-c2ccc(F)cc2)c1C.Cc1cc(-c2ccc(C(=O)N3CC(C)(F)C3)cc2)ccc1-c1ccc(CNC(=O)/C=C/c2ccc(N)nc2)o1.Cc1cc(-c2ccc(C(=O)N3CC(C)C3)cc2)ccc1-c1cc(C)c(CNC(=O)/C=C/c2ccc(N)nc2)s1.Cc1cc(-c2ccc(C(=O)N3CC(C)C3)cc2)ccc1-c1sc(CNC(=O)/C=C/c2ccc(N)nc2)c(C)c1C.Cn1c(CNC(=O)/C=C/c2ccc(N)nc2)ccc1-c1ccc(-c2ccc(C(=O)N3CCC(C)(F)CC3)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C39H37F2N5O2.C38H35FN4O2S.C33H34N4O2S.C32H32N4O2S.C31H29FN4O3.C30H33FN4OS/c1-39(41)19-21-46(22-20-39)38(48)29-7-5-27(6-8-29)30-11-15-33(34(23-30)28-9-12-31(40)13-10-28)35-16-14-32(45(35)2)25-44-37(47)18-4-26-3-17-36(42)43-24-26;1-23-21-43(22-23)38(45)29-8-6-27(7-9-29)30-12-15-32(33(18-30)28-10-13-31(39)14-11-28)37-25(3)24(2)34(46-37)20-42-36(44)17-5-26-4-16-35(40)41-19-26;1-20-18-37(19-20)33(39)26-9-7-25(8-10-26)27-11-12-28(21(2)15-27)32-23(4)22(3)29(40-32)17-36-31(38)14-6-24-5-13-30(34)35-16-24;1-20-18-36(19-20)32(38)25-8-6-24(7-9-25)26-10-11-27(21(2)14-26)28-15-22(3)29(39-28)17-35-31(37)13-5-23-4-12-30(33)34-16-23;1-20-15-24(22-5-7-23(8-6-22)30(38)36-18-31(2,32)19-36)9-11-26(20)27-12-10-25(39-27)17-35-29(37)14-4-21-3-13-28(33)34-16-21;1-17-11-22(26-12-25(26)20(4)35-15-23(31)16-35)7-8-24(17)30-19(3)18(2)27(37-30)14-34-29(36)10-6-21-5-9-28(32)33-13-21/h3-18,23-24H,19-22,25H2,1-2H3,(H2,42,43)(H,44,47);4-19,23H,20-22H2,1-3H3,(H2,40,41)(H,42,44);5-16,20H,17-19H2,1-4H3,(H2,34,35)(H,36,38);4-16,20H,17-19H2,1-3H3,(H2,33,34)(H,35,37);3-16H,17-19H2,1-2H3,(H2,33,34)(H,35,37);5-11,13,23,25-26H,4,12,14-16H2,1-3H3,(H2,32,33)(H,34,36)/b18-4+;17-5+;14-6+;13-5+;14-4+;10-6+
InChIKeyKZXYBCVEVQQYSM-DKCVCPQZSA-N
MW3405.25 g/mol
LogP39.17
Rot. Bonds45

About (E)-3-(6-amino-3-pyridinyl)-N-[[3,4-dimethyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[2-[1-(3-fluoroazetidin-1-yl)ethenyl]cyclopropyl]-2-methylphenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-1-methylpyrrol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4-fluorophenyl)-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[3-methyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide

(E)-3-(6-amino-3-pyridinyl)-N-[[3,4-dimethyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[2-[1-(3-fluoroazetidin-1-yl)ethenyl]cyclopropyl]-2-methylphenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-1-methylpyrrol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4-fluorophenyl)-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[3-methyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide (PubChem CID 159289522) has the molecular formula C203H200F5N25O12S4 and a molecular weight of 3405.25 g/mol. Its IUPAC name is (E)-3-(6-amino-3-pyridinyl)-N-[[3,4-dimethyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[2-[1-(3-fluoroazetidin-1-yl)ethenyl]cyclopropyl]-2-methylphenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-1-methylpyrrol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4-fluorophenyl)-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[3-methyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-amino-3-pyridinyl)-N-[[3,4-dimethyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[2-[1-(3-fluoroazetidin-1-yl)ethenyl]cyclopropyl]-2-methylphenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-1-methylpyrrol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4-fluorophenyl)-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[3-methyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide
PubChem CID159289522
Molecular FormulaC203H200F5N25O12S4
Molecular Weight3405.25 g/mol
Exact Mass3402.46
IUPAC Name(E)-3-(6-amino-3-pyridinyl)-N-[[3,4-dimethyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[2-[1-(3-fluoroazetidin-1-yl)ethenyl]cyclopropyl]-2-methylphenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-1-methylpyrrol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4-fluorophenyl)-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[3-methyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide
SMILESC=C(C1CC1c1ccc(-c2sc(CNC(=O)/C=C/c3ccc(N)nc3)c(C)c2C)c(C)c1)N1CC(F)C1.Cc1c(CNC(=O)/C=C/c2ccc(N)nc2)sc(-c2ccc(-c3ccc(C(=O)N4CC(C)C4)cc3)cc2-c2ccc(F)cc2)c1C.Cc1cc(-c2ccc(C(=O)N3CC(C)(F)C3)cc2)ccc1-c1ccc(CNC(=O)/C=C/c2ccc(N)nc2)o1.Cc1cc(-c2ccc(C(=O)N3CC(C)C3)cc2)ccc1-c1cc(C)c(CNC(=O)/C=C/c2ccc(N)nc2)s1.Cc1cc(-c2ccc(C(=O)N3CC(C)C3)cc2)ccc1-c1sc(CNC(=O)/C=C/c2ccc(N)nc2)c(C)c1C.Cn1c(CNC(=O)/C=C/c2ccc(N)nc2)ccc1-c1ccc(-c2ccc(C(=O)N3CCC(C)(F)CC3)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C39H37F2N5O2.C38H35FN4O2S.C33H34N4O2S.C32H32N4O2S.C31H29FN4O3.C30H33FN4OS/c1-39(41)19-21-46(22-20-39)38(48)29-7-5-27(6-8-29)30-11-15-33(34(23-30)28-9-12-31(40)13-10-28)35-16-14-32(45(35)2)25-44-37(47)18-4-26-3-17-36(42)43-24-26;1-23-21-43(22-23)38(45)29-8-6-27(7-9-29)30-12-15-32(33(18-30)28-10-13-31(39)14-11-28)37-25(3)24(2)34(46-37)20-42-36(44)17-5-26-4-16-35(40)41-19-26;1-20-18-37(19-20)33(39)26-9-7-25(8-10-26)27-11-12-28(21(2)15-27)32-23(4)22(3)29(40-32)17-36-31(38)14-6-24-5-13-30(34)35-16-24;1-20-18-36(19-20)32(38)25-8-6-24(7-9-25)26-10-11-27(21(2)14-26)28-15-22(3)29(39-28)17-35-31(37)13-5-23-4-12-30(33)34-16-23;1-20-15-24(22-5-7-23(8-6-22)30(38)36-18-31(2,32)19-36)9-11-26(20)27-12-10-25(39-27)17-35-29(37)14-4-21-3-13-28(33)34-16-21;1-17-11-22(26-12-25(26)20(4)35-15-23(31)16-35)7-8-24(17)30-19(3)18(2)27(37-30)14-34-29(36)10-6-21-5-9-28(32)33-13-21/h3-18,23-24H,19-22,25H2,1-2H3,(H2,42,43)(H,44,47);4-19,23H,20-22H2,1-3H3,(H2,40,41)(H,42,44);5-16,20H,17-19H2,1-4H3,(H2,34,35)(H,36,38);4-16,20H,17-19H2,1-3H3,(H2,33,34)(H,35,37);3-16H,17-19H2,1-2H3,(H2,33,34)(H,35,37);5-11,13,23,25-26H,4,12,14-16H2,1-3H3,(H2,32,33)(H,34,36)/b18-4+;17-5+;14-6+;13-5+;14-4+;10-6+
InChIKeyKZXYBCVEVQQYSM-DKCVCPQZSA-N
XLogP39.17
TPSA530.92 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds45
Heavy Atoms249
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003405.25
LogP ≤ 539.17
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(6-amino-3-pyridinyl)-N-[[3,4-dimethyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[2-[1-(3-fluoroazetidin-1-yl)ethenyl]cyclopropyl]-2-methylphenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-1-methylpyrrol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4-fluorophenyl)-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[3-methyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-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

(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-chloro-7-[1-(4,4-difluoropiperidin-1-yl)ethenyl]naphthalen-2-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-chloro-4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-pyridinyl]phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-pyridinyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-pyridinyl]-2-methylphenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-N-[[5-[4-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-pyridinyl]-2-methylphenyl]furan-2-yl]methyl]-3-pyridin-3-ylprop-2-enamide
CID 161625158
(E)-3-(6-amino-3-pyridinyl)-N-[[2-[4-[2-fluoro-4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-5-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3,4-oxadiazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[2-[4-[2-fluoro-4-(3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-5-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[2-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-5-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[2-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-1,3-oxazol-5-yl]methyl]prop-2-enamide
CID 157352824
N-(3,3-dimethylbut-1-en-2-yl)-N-methylpyridin-2-amine;2,2-dimethyl-N-(1-phenylcyclopropyl)propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide;2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide;2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(1-pyridin-3-ylcyclopropyl)propanamide;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;2,2-dimethyl-N-(1-pyridin-2-ylpropyl)propanamide;2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propanamide;2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;3,3-dimethyl-N-(thiophen-2-ylmethyl)but-1-en-2-amine;2,2-dimethyl-N-(thiophen-2-ylmethyl)propanamide;N-[(2-fluorophenyl)methyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-2,2-dimethylpropanamide
CID 158212678

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-amino-3-pyridinyl)-N-[[3,4-dimethyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[2-[1-(3-fluoroazetidin-1-yl)ethenyl]cyclopropyl]-2-methylphenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-1-methylpyrrol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4-fluorophenyl)-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[3-methyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(6-amino-3-pyridinyl)-N-[[3,4-dimethyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[2-[1-(3-fluoroazetidin-1-yl)ethenyl]cyclopropyl]-2-methylphenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-1-methylpyrrol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4-fluorophenyl)-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[3-methyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide (CID 159289522) is (E)-3-(6-amino-3-pyridinyl)-N-[[3,4-dimethyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[2-[1-(3-fluoroazetidin-1-yl)ethenyl]cyclopropyl]-2-methylphenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-1-methylpyrrol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4-fluorophenyl)-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[3-methyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(6-amino-3-pyridinyl)-N-[[3,4-dimethyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[2-[1-(3-fluoroazetidin-1-yl)ethenyl]cyclopropyl]-2-methylphenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-1-methylpyrrol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4-fluorophenyl)-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[3-methyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(6-amino-3-pyridinyl)-N-[[3,4-dimethyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[2-[1-(3-fluoroazetidin-1-yl)ethenyl]cyclopropyl]-2-methylphenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-1-methylpyrrol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4-fluorophenyl)-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[3-methyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide is C=C(C1CC1c1ccc(-c2sc(CNC(=O)/C=C/c3ccc(N)nc3)c(C)c2C)c(C)c1)N1CC(F)C1.Cc1c(CNC(=O)/C=C/c2ccc(N)nc2)sc(-c2ccc(-c3ccc(C(=O)N4CC(C)C4)cc3)cc2-c2ccc(F)cc2)c1C.Cc1cc(-c2ccc(C(=O)N3CC(C)(F)C3)cc2)ccc1-c1ccc(CNC(=O)/C=C/c2ccc(N)nc2)o1.Cc1cc(-c2ccc(C(=O)N3CC(C)C3)cc2)ccc1-c1cc(C)c(CNC(=O)/C=C/c2ccc(N)nc2)s1.Cc1cc(-c2ccc(C(=O)N3CC(C)C3)cc2)ccc1-c1sc(CNC(=O)/C=C/c2ccc(N)nc2)c(C)c1C.Cn1c(CNC(=O)/C=C/c2ccc(N)nc2)ccc1-c1ccc(-c2ccc(C(=O)N3CCC(C)(F)CC3)cc2)cc1-c1ccc(F)cc1.
What is the InChIKey of (E)-3-(6-amino-3-pyridinyl)-N-[[3,4-dimethyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[2-[1-(3-fluoroazetidin-1-yl)ethenyl]cyclopropyl]-2-methylphenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-1-methylpyrrol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4-fluorophenyl)-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[3-methyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide?
The InChIKey is KZXYBCVEVQQYSM-DKCVCPQZSA-N. The full InChI is InChI=1S/C39H37F2N5O2.C38H35FN4O2S.C33H34N4O2S.C32H32N4O2S.C31H29FN4O3.C30H33FN4OS/c1-39(41)19-21-46(22-20-39)38(48)29-7-5-27(6-8-29)30-11-15-33(34(23-30)28-9-12-31(40)13-10-28)35-16-14-32(45(35)2)25-44-37(47)18-4-26-3-17-36(42)43-24-26;1-23-21-43(22-23)38(45)29-8-6-27(7-9-29)30-12-15-32(33(18-30)28-10-13-31(39)14-11-28)37-25(3)24(2)34(46-37)20-42-36(44)17-5-26-4-16-35(40)41-19-26;1-20-18-37(19-20)33(39)26-9-7-25(8-10-26)27-11-12-28(21(2)15-27)32-23(4)22(3)29(40-32)17-36-31(38)14-6-24-5-13-30(34)35-16-24;1-20-18-36(19-20)32(38)25-8-6-24(7-9-25)26-10-11-27(21(2)14-26)28-15-22(3)29(39-28)17-35-31(37)13-5-23-4-12-30(33)34-16-23;1-20-15-24(22-5-7-23(8-6-22)30(38)36-18-31(2,32)19-36)9-11-26(20)27-12-10-25(39-27)17-35-29(37)14-4-21-3-13-28(33)34-16-21;1-17-11-22(26-12-25(26)20(4)35-15-23(31)16-35)7-8-24(17)30-19(3)18(2)27(37-30)14-34-29(36)10-6-21-5-9-28(32)33-13-21/h3-18,23-24H,19-22,25H2,1-2H3,(H2,42,43)(H,44,47);4-19,23H,20-22H2,1-3H3,(H2,40,41)(H,42,44);5-16,20H,17-19H2,1-4H3,(H2,34,35)(H,36,38);4-16,20H,17-19H2,1-3H3,(H2,33,34)(H,35,37);3-16H,17-19H2,1-2H3,(H2,33,34)(H,35,37);5-11,13,23,25-26H,4,12,14-16H2,1-3H3,(H2,32,33)(H,34,36)/b18-4+;17-5+;14-6+;13-5+;14-4+;10-6+.
What are the key properties of (E)-3-(6-amino-3-pyridinyl)-N-[[3,4-dimethyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[2-[1-(3-fluoroazetidin-1-yl)ethenyl]cyclopropyl]-2-methylphenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-1-methylpyrrol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4-fluorophenyl)-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[3-methyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide?
(E)-3-(6-amino-3-pyridinyl)-N-[[3,4-dimethyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[2-[1-(3-fluoroazetidin-1-yl)ethenyl]cyclopropyl]-2-methylphenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-1-methylpyrrol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4-fluorophenyl)-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[3-methyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide has a molecular weight of 3405.25 g/mol, XLogP of 39.17, 45 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-amino-3-pyridinyl)-N-[[3,4-dimethyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[2-[1-(3-fluoroazetidin-1-yl)ethenyl]cyclopropyl]-2-methylphenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]-1-methylpyrrol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[2-(4-fluorophenyl)-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]-3,4-dimethylthiophen-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[3-methyl-5-[2-methyl-4-[4-(3-methylazetidine-1-carbonyl)phenyl]phenyl]thiophen-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 159289522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).