[4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one

C190H173F13N28O18 — CID 157386988

IUPAC[4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one
SMILESCC1(F)CCN(C(=O)c2c[nH]c3cc(C(F)(F)F)c(-c4ccc(CCC(=O)/C=C/c5ccc(N)nc5)o4)cc23)CC1.CC1(F)CCN(C(=O)c2ccc(-c3ccc(-c4coc(CNC(=O)/C=C/c5ccc(N)nc5)c4)c(-c4ccc(F)cc4)c3)cc2)CC1.CC1(F)CN(C(=O)c2ccc(-c3ccc(-c4ncc(-c5coc(/C=C/c6ccc(N)nc6)n5)o4)c(C(F)(F)F)c3)cc2)C1.Cc1cc(-c2ccc(C(=O)N3CC(C)(F)C3)cc2)ccc1-c1cnc(CNC(=O)/C=C/c2ccc(N)nc2)o1.Cc1cc(-c2ccc(C(=O)N3CC(C)(F)C3)cn2)cc(C)c1-c1ccc(CNC(=O)/C=C/c2ccc(N)nc2)o1.Cc1cc2ncc(C(=O)N3CCC(C)(F)CC3)cc2cc1-c1ccc(CNC(=O)/C=C/c2ccc(N)nc2)o1
InChIInChI=1S/C38H34F2N4O3.C31H23F4N5O3.C31H30FN5O3.C30H28F4N4O3.C30H28FN5O3.C30H30FN5O3/c1-38(40)16-18-44(19-17-38)37(46)28-6-4-26(5-7-28)29-10-13-33(34(21-29)27-8-11-31(39)12-9-27)30-20-32(47-24-30)23-43-36(45)15-3-25-2-14-35(41)42-22-25;1-30(32)16-40(17-30)29(41)20-6-4-19(5-7-20)21-8-9-22(23(12-21)31(33,34)35)28-38-14-25(43-28)24-15-42-27(39-24)11-3-18-2-10-26(36)37-13-18;1-19-12-23(25-8-6-22(15-34-25)30(39)37-17-31(3,32)18-37)13-20(2)29(19)26-9-7-24(40-26)16-36-28(38)11-5-21-4-10-27(33)35-14-21;1-29(31)10-12-38(13-11-29)28(40)23-17-36-25-15-24(30(32,33)34)22(14-21(23)25)26-8-7-20(41-26)6-5-19(39)4-2-18-3-9-27(35)37-16-18;1-19-13-23(21-5-7-22(8-6-21)29(38)36-17-30(2,31)18-36)9-10-24(19)25-15-35-28(39-25)16-34-27(37)12-4-20-3-11-26(32)33-14-20;1-19-13-25-21(14-22(17-33-25)29(38)36-11-9-30(2,31)10-12-36)15-24(19)26-6-5-23(39-26)18-35-28(37)8-4-20-3-7-27(32)34-16-20/h2-15,20-22,24H,16-19,23H2,1H3,(H2,41,42)(H,43,45);2-15H,16-17H2,1H3,(H2,36,37);4-15H,16-18H2,1-3H3,(H2,33,35)(H,36,38);2-4,7-9,14-17,36H,5-6,10-13H2,1H3,(H2,35,37);3-15H,16-18H2,1-2H3,(H2,32,33)(H,34,37);3-8,13-17H,9-12,18H2,1-2H3,(H2,32,34)(H,35,37)/b15-3+;11-3+;11-5+;4-2+;12-4+;8-4+
InChIKeyBLNZSUCNQNZPSE-NTRUVTFHSA-N
MW3383.63 g/mol
LogP36.31
Rot. Bonds41

About [4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one

[4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one (PubChem CID 157386988) has the molecular formula C190H173F13N28O18 and a molecular weight of 3383.63 g/mol. Its IUPAC name is [4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one.

Molecular Properties

Compound Name[4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one
PubChem CID157386988
Molecular FormulaC190H173F13N28O18
Molecular Weight3383.63 g/mol
Exact Mass3381.33
IUPAC Name[4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one
SMILESCC1(F)CCN(C(=O)c2c[nH]c3cc(C(F)(F)F)c(-c4ccc(CCC(=O)/C=C/c5ccc(N)nc5)o4)cc23)CC1.CC1(F)CCN(C(=O)c2ccc(-c3ccc(-c4coc(CNC(=O)/C=C/c5ccc(N)nc5)c4)c(-c4ccc(F)cc4)c3)cc2)CC1.CC1(F)CN(C(=O)c2ccc(-c3ccc(-c4ncc(-c5coc(/C=C/c6ccc(N)nc6)n5)o4)c(C(F)(F)F)c3)cc2)C1.Cc1cc(-c2ccc(C(=O)N3CC(C)(F)C3)cc2)ccc1-c1cnc(CNC(=O)/C=C/c2ccc(N)nc2)o1.Cc1cc(-c2ccc(C(=O)N3CC(C)(F)C3)cn2)cc(C)c1-c1ccc(CNC(=O)/C=C/c2ccc(N)nc2)o1.Cc1cc2ncc(C(=O)N3CCC(C)(F)CC3)cc2cc1-c1ccc(CNC(=O)/C=C/c2ccc(N)nc2)o1
InChIInChI=1S/C38H34F2N4O3.C31H23F4N5O3.C31H30FN5O3.C30H28F4N4O3.C30H28FN5O3.C30H30FN5O3/c1-38(40)16-18-44(19-17-38)37(46)28-6-4-26(5-7-28)29-10-13-33(34(21-29)27-8-11-31(39)12-9-27)30-20-32(47-24-30)23-43-36(45)15-3-25-2-14-35(41)42-22-25;1-30(32)16-40(17-30)29(41)20-6-4-19(5-7-20)21-8-9-22(23(12-21)31(33,34)35)28-38-14-25(43-28)24-15-42-27(39-24)11-3-18-2-10-26(36)37-13-18;1-19-12-23(25-8-6-22(15-34-25)30(39)37-17-31(3,32)18-37)13-20(2)29(19)26-9-7-24(40-26)16-36-28(38)11-5-21-4-10-27(33)35-14-21;1-29(31)10-12-38(13-11-29)28(40)23-17-36-25-15-24(30(32,33)34)22(14-21(23)25)26-8-7-20(41-26)6-5-19(39)4-2-18-3-9-27(35)37-16-18;1-19-13-23(21-5-7-22(8-6-21)29(38)36-17-30(2,31)18-36)9-10-24(19)25-15-35-28(39-25)16-34-27(37)12-4-20-3-11-26(32)33-14-20;1-19-13-25-21(14-22(17-33-25)29(38)36-11-9-30(2,31)10-12-36)15-24(19)26-6-5-23(39-26)18-35-28(37)8-4-20-3-7-27(32)34-16-20/h2-15,20-22,24H,16-19,23H2,1H3,(H2,41,42)(H,43,45);2-15H,16-17H2,1H3,(H2,36,37);4-15H,16-18H2,1-3H3,(H2,33,35)(H,36,38);2-4,7-9,14-17,36H,5-6,10-13H2,1H3,(H2,35,37);3-15H,16-18H2,1-2H3,(H2,32,33)(H,34,37);3-8,13-17H,9-12,18H2,1-2H3,(H2,32,34)(H,35,37)/b15-3+;11-3+;11-5+;4-2+;12-4+;8-4+
InChIKeyBLNZSUCNQNZPSE-NTRUVTFHSA-N
XLogP36.31
TPSA661.01 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds41
Heavy Atoms249
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003383.63
LogP ≤ 536.31
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze [4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one with MolForge

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Launch Full Analysis

Related Compounds

12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158180516
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-12-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158885713
5-[4-(4-fluoro-1,3-benzoxazol-2-yl)-5-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[2-(4-fluoro-1,3-benzoxazol-2-yl)-6-morpholin-4-yl-4-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[2-(4-fluoro-1,3-benzoxazol-2-yl)-6-oxo-1H-pyridin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[4-(4-fluoro-1,3-benzoxazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
CID 160154834
(E)-3-(6-amino-3-pyridinyl)-N-[[6-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(morpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide;(E)-5-[7-(1-benzofuran-2-yl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]-1-pyridin-3-ylpent-1-en-3-one;(E)-5-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(3-fluorophenyl)-1-benzofuran-2-yl]-1-pyridin-3-ylpent-1-en-3-one;(E)-5-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]-1-pyridin-3-ylpent-1-en-3-one
CID 161716471
CID 167533017
CID 167533017
5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[4-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]butoxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 167537117
CID 167571242
CID 167571242
CID 167679351
CID 167679351
CID 157814713
CID 157814713
2-(1,3-benzoxazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indol-5-yl)quinoxaline-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(2,4-difluorophenyl)quinoxaline-6-carboxylic acid;2-(6-fluoro-1-benzofuran-2-yl)-3-piperidin-1-ylquinoxaline-6-carboxylic acid;2-(5-fluoro-1H-indol-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;2-(6-fluoro-1H-indol-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1-oxo-2,3-dihydroisoindol-5-yl)quinoxaline-6-carboxylic acid
CID 158007841
5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide
CID 158635058
1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[2-(3-methylazetidin-1-yl)-4-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;N-methyl-5-[2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]pyridine-2-carboxamide;1-[3-(4-methylpiperazin-1-yl)phenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(1,3-oxazol-5-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
CID 158662846

Frequently Asked Questions

What is the IUPAC name of [4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one?
The IUPAC name of [4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one (CID 157386988) is [4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one.
What is the SMILES notation for [4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one?
The canonical SMILES for [4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one is CC1(F)CCN(C(=O)c2c[nH]c3cc(C(F)(F)F)c(-c4ccc(CCC(=O)/C=C/c5ccc(N)nc5)o4)cc23)CC1.CC1(F)CCN(C(=O)c2ccc(-c3ccc(-c4coc(CNC(=O)/C=C/c5ccc(N)nc5)c4)c(-c4ccc(F)cc4)c3)cc2)CC1.CC1(F)CN(C(=O)c2ccc(-c3ccc(-c4ncc(-c5coc(/C=C/c6ccc(N)nc6)n5)o4)c(C(F)(F)F)c3)cc2)C1.Cc1cc(-c2ccc(C(=O)N3CC(C)(F)C3)cc2)ccc1-c1cnc(CNC(=O)/C=C/c2ccc(N)nc2)o1.Cc1cc(-c2ccc(C(=O)N3CC(C)(F)C3)cn2)cc(C)c1-c1ccc(CNC(=O)/C=C/c2ccc(N)nc2)o1.Cc1cc2ncc(C(=O)N3CCC(C)(F)CC3)cc2cc1-c1ccc(CNC(=O)/C=C/c2ccc(N)nc2)o1.
What is the InChIKey of [4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one?
The InChIKey is BLNZSUCNQNZPSE-NTRUVTFHSA-N. The full InChI is InChI=1S/C38H34F2N4O3.C31H23F4N5O3.C31H30FN5O3.C30H28F4N4O3.C30H28FN5O3.C30H30FN5O3/c1-38(40)16-18-44(19-17-38)37(46)28-6-4-26(5-7-28)29-10-13-33(34(21-29)27-8-11-31(39)12-9-27)30-20-32(47-24-30)23-43-36(45)15-3-25-2-14-35(41)42-22-25;1-30(32)16-40(17-30)29(41)20-6-4-19(5-7-20)21-8-9-22(23(12-21)31(33,34)35)28-38-14-25(43-28)24-15-42-27(39-24)11-3-18-2-10-26(36)37-13-18;1-19-12-23(25-8-6-22(15-34-25)30(39)37-17-31(3,32)18-37)13-20(2)29(19)26-9-7-24(40-26)16-36-28(38)11-5-21-4-10-27(33)35-14-21;1-29(31)10-12-38(13-11-29)28(40)23-17-36-25-15-24(30(32,33)34)22(14-21(23)25)26-8-7-20(41-26)6-5-19(39)4-2-18-3-9-27(35)37-16-18;1-19-13-23(21-5-7-22(8-6-21)29(38)36-17-30(2,31)18-36)9-10-24(19)25-15-35-28(39-25)16-34-27(37)12-4-20-3-11-26(32)33-14-20;1-19-13-25-21(14-22(17-33-25)29(38)36-11-9-30(2,31)10-12-36)15-24(19)26-6-5-23(39-26)18-35-28(37)8-4-20-3-7-27(32)34-16-20/h2-15,20-22,24H,16-19,23H2,1H3,(H2,41,42)(H,43,45);2-15H,16-17H2,1H3,(H2,36,37);4-15H,16-18H2,1-3H3,(H2,33,35)(H,36,38);2-4,7-9,14-17,36H,5-6,10-13H2,1H3,(H2,35,37);3-15H,16-18H2,1-2H3,(H2,32,33)(H,34,37);3-8,13-17H,9-12,18H2,1-2H3,(H2,32,34)(H,35,37)/b15-3+;11-3+;11-5+;4-2+;12-4+;8-4+.
What are the key properties of [4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one?
[4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one has a molecular weight of 3383.63 g/mol, XLogP of 36.31, 41 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[5-[2-[(E)-2-(6-amino-3-pyridinyl)ethenyl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]-(3-fluoro-3-methylazetidin-1-yl)methanone;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[4-(3-fluoro-3-methylazetidine-1-carbonyl)phenyl]-2-methylphenyl]-1,3-oxazol-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-[5-(3-fluoro-3-methylazetidine-1-carbonyl)-2-pyridinyl]-2,6-dimethylphenyl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-7-methylquinolin-6-yl]furan-2-yl]methyl]prop-2-enamide;(E)-3-(6-amino-3-pyridinyl)-N-[[4-[4-[4-(4-fluoro-4-methylpiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]prop-2-enamide;(E)-1-(6-amino-3-pyridinyl)-5-[5-[3-(4-fluoro-4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-indol-5-yl]furan-2-yl]pent-1-en-3-one is sourced from PubChem (CID 157386988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).