4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;4-[3-[6-[(3S,5R)-4-(2-fluoro-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol;methyl (2S,6R)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate

C216H211F5N34O17 — CID 158431207

IUPAC4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;4-[3-[6-[(3S,5R)-4-(2-fluoro-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol;methyl (2S,6R)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate
SMILESCOC(=O)N1[C@H](C)CN(c2ccc(-c3cnc4c(-c5ccc(C#N)cc5)cccc4c3OC)cn2)C[C@@H]1C.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)C(C)(C)F)[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)C(C)O)[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)CC(F)(F)F)[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)CN)[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C(C)(C)O)O[C@@H](C)C5)cc4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C)N(C(=O)C(C)F)[C@@H](C)C5)nc4)cnc23)cc1
InChIInChI=1S/C32H32FN5O2.C31H28F3N5O2.C31H30FN5O2.C31H31N5O3.C31H31N3O3.C30H30N6O2.C30H29N5O3/c1-20-18-37(19-21(2)38(20)31(39)32(3,4)33)28-14-13-24(16-35-28)27-17-36-29-25(7-6-8-26(29)30(27)40-5)23-11-9-22(15-34)10-12-23;1-19-17-38(18-20(2)39(19)28(40)13-31(32,33)34)27-12-11-23(15-36-27)26-16-37-29-24(5-4-6-25(29)30(26)41-3)22-9-7-21(14-35)8-10-22;1-19-17-36(18-20(2)37(19)31(38)21(3)32)28-14-11-23(15-34-28)27-16-35-29-25(7-6-8-26(29)30(27)39-5)22-9-12-24(33-4)13-10-22;1-19-17-35(18-20(2)36(19)31(38)21(3)37)28-13-12-24(15-33-28)27-16-34-29-25(6-5-7-26(29)30(27)39-4)23-10-8-22(14-32)9-11-23;1-20-18-34(19-28(37-20)31(2,3)35)24-15-11-22(12-16-24)27-17-33-29-25(7-6-8-26(29)30(27)36-5)21-9-13-23(32-4)14-10-21;1-19-17-35(18-20(2)36(19)28(37)14-32)27-12-11-23(15-33-27)26-16-34-29-24(5-4-6-25(29)30(26)38-3)22-9-7-21(13-31)8-10-22;1-19-17-34(18-20(2)35(19)30(36)38-4)27-13-12-23(15-32-27)26-16-33-28-24(6-5-7-25(28)29(26)37-3)22-10-8-21(14-31)9-11-22/h6-14,16-17,20-21H,18-19H2,1-5H3;4-12,15-16,19-20H,13,17-18H2,1-3H3;6-16,19-21H,17-18H2,1-3,5H3;5-13,15-16,19-21,37H,17-18H2,1-4H3;6-17,20,28,35H,18-19H2,1-3,5H3;4-12,15-16,19-20H,14,17-18,32H2,1-3H3;5-13,15-16,19-20H,17-18H2,1-4H3/t20-,21+;19-,20+;2*19-,20+,21?;20-,28-;2*19-,20+/m....0../s1
InChIKeyHBRHDPJYXIAUHF-FLLRMBFQSA-N
MW3650.27 g/mol
LogP39.43
Rot. Bonds34

About 4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;4-[3-[6-[(3S,5R)-4-(2-fluoro-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol;methyl (2S,6R)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate

4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;4-[3-[6-[(3S,5R)-4-(2-fluoro-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol;methyl (2S,6R)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate (PubChem CID 158431207) has the molecular formula C216H211F5N34O17 and a molecular weight of 3650.27 g/mol. Its IUPAC name is 4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;4-[3-[6-[(3S,5R)-4-(2-fluoro-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol;methyl (2S,6R)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;4-[3-[6-[(3S,5R)-4-(2-fluoro-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol;methyl (2S,6R)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate
PubChem CID158431207
Molecular FormulaC216H211F5N34O17
Molecular Weight3650.27 g/mol
Exact Mass3647.66
IUPAC Name4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;4-[3-[6-[(3S,5R)-4-(2-fluoro-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol;methyl (2S,6R)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate
SMILESCOC(=O)N1[C@H](C)CN(c2ccc(-c3cnc4c(-c5ccc(C#N)cc5)cccc4c3OC)cn2)C[C@@H]1C.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)C(C)(C)F)[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)C(C)O)[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)CC(F)(F)F)[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)CN)[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C(C)(C)O)O[C@@H](C)C5)cc4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C)N(C(=O)C(C)F)[C@@H](C)C5)nc4)cnc23)cc1
InChIInChI=1S/C32H32FN5O2.C31H28F3N5O2.C31H30FN5O2.C31H31N5O3.C31H31N3O3.C30H30N6O2.C30H29N5O3/c1-20-18-37(19-21(2)38(20)31(39)32(3,4)33)28-14-13-24(16-35-28)27-17-36-29-25(7-6-8-26(29)30(27)40-5)23-11-9-22(15-34)10-12-23;1-19-17-38(18-20(2)39(19)28(40)13-31(32,33)34)27-12-11-23(15-36-27)26-16-37-29-24(5-4-6-25(29)30(26)41-3)22-9-7-21(14-35)8-10-22;1-19-17-36(18-20(2)37(19)31(38)21(3)32)28-14-11-23(15-34-28)27-16-35-29-25(7-6-8-26(29)30(27)39-5)22-9-12-24(33-4)13-10-22;1-19-17-35(18-20(2)36(19)31(38)21(3)37)28-13-12-24(15-33-28)27-16-34-29-25(6-5-7-26(29)30(27)39-4)23-10-8-22(14-32)9-11-23;1-20-18-34(19-28(37-20)31(2,3)35)24-15-11-22(12-16-24)27-17-33-29-25(7-6-8-26(29)30(27)36-5)21-9-13-23(32-4)14-10-21;1-19-17-35(18-20(2)36(19)28(37)14-32)27-12-11-23(15-33-27)26-16-34-29-24(5-4-6-25(29)30(26)38-3)22-9-7-21(13-31)8-10-22;1-19-17-34(18-20(2)35(19)30(36)38-4)27-13-12-23(15-32-27)26-16-33-28-24(6-5-7-25(28)29(26)37-3)22-10-8-21(14-31)9-11-22/h6-14,16-17,20-21H,18-19H2,1-5H3;4-12,15-16,19-20H,13,17-18H2,1-3H3;6-16,19-21H,17-18H2,1-3,5H3;5-13,15-16,19-21,37H,17-18H2,1-4H3;6-17,20,28,35H,18-19H2,1-3,5H3;4-12,15-16,19-20H,14,17-18,32H2,1-3H3;5-13,15-16,19-20H,17-18H2,1-4H3/t20-,21+;19-,20+;2*19-,20+,21?;20-,28-;2*19-,20+/m....0../s1
InChIKeyHBRHDPJYXIAUHF-FLLRMBFQSA-N
XLogP39.43
TPSA589.33 Ų
H-Bond Donors3
H-Bond Acceptors43
Rotatable Bonds34
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003650.27
LogP ≤ 539.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1043

Analyze 4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;4-[3-[6-[(3S,5R)-4-(2-fluoro-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol;methyl (2S,6R)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-[4-Cyclopropyl-3-[4-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-1-yl]quinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[5-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;2-[5-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol;2-[6-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol
CID 157386839
4-[3-(4-Acetylpiperazin-1-yl)-4-methoxyquinolin-8-yl]benzonitrile;2-[6-[4-[4-bromo-8-(4-isocyanophenyl)quinolin-3-yl]-2-methylpiperazin-1-yl]-3-pyridinyl]propan-2-ol;3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-8-(4-isocyanophenyl)-4-methoxyquinoline;4-[3-[4-(3-hydroxy-3-methylbutanoyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;1-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;2-[6-[4-[8-(4-isocyanophenyl)-4-(trifluoromethyl)quinolin-3-yl]piperazin-1-yl]-3-pyridinyl]propan-2-ol
CID 157770606
4-[4-cyclopropyl-8-(4-isocyanophenyl)quinolin-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methylpiperazin-2-ol;4-[4-cyclopropyl-8-(4-isocyanophenyl)quinolin-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]piperazin-2-one;4-[3-[4-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-4-methoxyquinolin-8-yl]benzonitrile;(2S,6R)-4-[(3S,4R)-3-fluoro-1-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperidin-4-yl]-2,6-dimethylmorpholine;4-[1-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]piperidin-4-yl]-2,6-dimethylmorpholin-3-one
CID 158732676
4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3R,5S)-4-(2-aminopropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2,2-difluoropropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[4-[(3S,5R)-3,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;methyl (2R,6S)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate
CID 159616547
3-[6-[(3S,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-4-methoxyquinoline;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;2-hydroxy-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]ethanone;1-[2-(2-hydroxypropan-2-yl)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylpiperazin-1-yl]ethanone;8-(4-isocyanophenyl)-4-methoxy-3-[4-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]quinoline;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol
CID 160500371
4-[3-[6-[(3S,5R)-4-(2-hydroxyacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 118407295
4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 118407373
[2-[(2R,6S)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]-2-oxoethyl] acetate
CID 118407453
4-[3-[6-[4-(2-Hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 118407535
4-[3-[6-[4-(2-Hydroxyacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 126504458
4-[3-[6-[(3S)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 126518427
4-[3-[6-[(3R)-4-(2-hydroxyacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 139470776

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;4-[3-[6-[(3S,5R)-4-(2-fluoro-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol;methyl (2S,6R)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate?
The IUPAC name of 4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;4-[3-[6-[(3S,5R)-4-(2-fluoro-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol;methyl (2S,6R)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate (CID 158431207) is 4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;4-[3-[6-[(3S,5R)-4-(2-fluoro-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol;methyl (2S,6R)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for 4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;4-[3-[6-[(3S,5R)-4-(2-fluoro-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol;methyl (2S,6R)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate?
The canonical SMILES for 4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;4-[3-[6-[(3S,5R)-4-(2-fluoro-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol;methyl (2S,6R)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate is COC(=O)N1[C@H](C)CN(c2ccc(-c3cnc4c(-c5ccc(C#N)cc5)cccc4c3OC)cn2)C[C@@H]1C.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)C(C)(C)F)[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)C(C)O)[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)CC(F)(F)F)[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)CN)[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C(C)(C)O)O[C@@H](C)C5)cc4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C)N(C(=O)C(C)F)[C@@H](C)C5)nc4)cnc23)cc1.
What is the InChIKey of 4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;4-[3-[6-[(3S,5R)-4-(2-fluoro-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol;methyl (2S,6R)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate?
The InChIKey is HBRHDPJYXIAUHF-FLLRMBFQSA-N. The full InChI is InChI=1S/C32H32FN5O2.C31H28F3N5O2.C31H30FN5O2.C31H31N5O3.C31H31N3O3.C30H30N6O2.C30H29N5O3/c1-20-18-37(19-21(2)38(20)31(39)32(3,4)33)28-14-13-24(16-35-28)27-17-36-29-25(7-6-8-26(29)30(27)40-5)23-11-9-22(15-34)10-12-23;1-19-17-38(18-20(2)39(19)28(40)13-31(32,33)34)27-12-11-23(15-36-27)26-16-37-29-24(5-4-6-25(29)30(26)41-3)22-9-7-21(14-35)8-10-22;1-19-17-36(18-20(2)37(19)31(38)21(3)32)28-14-11-23(15-34-28)27-16-35-29-25(7-6-8-26(29)30(27)39-5)22-9-12-24(33-4)13-10-22;1-19-17-35(18-20(2)36(19)31(38)21(3)37)28-13-12-24(15-33-28)27-16-34-29-25(6-5-7-26(29)30(27)39-4)23-10-8-22(14-32)9-11-23;1-20-18-34(19-28(37-20)31(2,3)35)24-15-11-22(12-16-24)27-17-33-29-25(7-6-8-26(29)30(27)36-5)21-9-13-23(32-4)14-10-21;1-19-17-35(18-20(2)36(19)28(37)14-32)27-12-11-23(15-33-27)26-16-34-29-24(5-4-6-25(29)30(26)38-3)22-9-7-21(13-31)8-10-22;1-19-17-34(18-20(2)35(19)30(36)38-4)27-13-12-23(15-32-27)26-16-33-28-24(6-5-7-25(28)29(26)37-3)22-10-8-21(14-31)9-11-22/h6-14,16-17,20-21H,18-19H2,1-5H3;4-12,15-16,19-20H,13,17-18H2,1-3H3;6-16,19-21H,17-18H2,1-3,5H3;5-13,15-16,19-21,37H,17-18H2,1-4H3;6-17,20,28,35H,18-19H2,1-3,5H3;4-12,15-16,19-20H,14,17-18,32H2,1-3H3;5-13,15-16,19-20H,17-18H2,1-4H3/t20-,21+;19-,20+;2*19-,20+,21?;20-,28-;2*19-,20+/m....0../s1.
What are the key properties of 4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;4-[3-[6-[(3S,5R)-4-(2-fluoro-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol;methyl (2S,6R)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate?
4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;4-[3-[6-[(3S,5R)-4-(2-fluoro-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol;methyl (2S,6R)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 3650.27 g/mol, XLogP of 39.43, 34 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-[(3S,5R)-4-(2-aminoacetyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-3,5-dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-fluoro-1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;4-[3-[6-[(3S,5R)-4-(2-fluoro-2-methylpropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(3S,5R)-4-(2-hydroxypropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;2-[(2S,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-6-methylmorpholin-2-yl]propan-2-ol;methyl (2S,6R)-4-[5-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 158431207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).