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

C219H210F5N37O16 — CID 159616547

IUPAC4-[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
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)(F)F)[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)C(C)N)[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.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)c4cccnc4)[C@@H](C)C3)cc2)cnc2c(-c3ccc(C#N)cc3)cccc12
InChIInChI=1S/C35H31N5O2.C31H28F3N5O2.C31H29F2N5O2.C31H32N6O2.C31H31N5O3.C30H30N6O2.C30H29N5O3/c1-23-21-39(22-24(2)40(23)35(41)28-6-5-17-37-19-28)29-15-13-27(14-16-29)32-20-38-33-30(7-4-8-31(33)34(32)42-3)26-11-9-25(18-36)10-12-26;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;1-19-17-37(18-20(2)38(19)30(39)31(3,32)33)27-13-12-23(15-35-27)26-16-36-28-24(6-5-7-25(28)29(26)40-4)22-10-8-21(14-34)9-11-22;1-19-17-36(18-20(2)37(19)31(38)21(3)33)28-13-12-24(15-34-28)27-16-35-29-25(6-5-7-26(29)30(27)39-4)23-10-8-22(14-32)9-11-23;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;1-19-17-35(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/h4-17,19-20,23-24H,21-22H2,1-3H3;4-12,15-16,19-20H,13,17-18H2,1-3H3;5-13,15-16,19-20H,17-18H2,1-4H3;5-13,15-16,19-21H,17-18,33H2,1-4H3;5-13,15-16,19-21,37H,17-18H2,1-4H3;4-12,15-16,19-20H,14,17-18,32H2,1-3H3;5-13,15-16,19-20H,17-18H2,1-4H3/t23-,24+;2*19-,20+;2*19-,20+,21?;2*19-,20+
InChIKeyMNIZAAKKEGXZGD-ULVMNNCASA-N
MW3711.32 g/mol
LogP37.74
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-[(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

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 (PubChem CID 159616547) has the molecular formula C219H210F5N37O16 and a molecular weight of 3711.32 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-[(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.

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-[(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
PubChem CID159616547
Molecular FormulaC219H210F5N37O16
Molecular Weight3711.32 g/mol
Exact Mass3708.67
IUPAC Name4-[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
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)(F)F)[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)C(C)N)[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.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)c4cccnc4)[C@@H](C)C3)cc2)cnc2c(-c3ccc(C#N)cc3)cccc12
InChIInChI=1S/C35H31N5O2.C31H28F3N5O2.C31H29F2N5O2.C31H32N6O2.C31H31N5O3.C30H30N6O2.C30H29N5O3/c1-23-21-39(22-24(2)40(23)35(41)28-6-5-17-37-19-28)29-15-13-27(14-16-29)32-20-38-33-30(7-4-8-31(33)34(32)42-3)26-11-9-25(18-36)10-12-26;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;1-19-17-37(18-20(2)38(19)30(39)31(3,32)33)27-13-12-23(15-35-27)26-16-36-28-24(6-5-7-25(28)29(26)40-4)22-10-8-21(14-34)9-11-22;1-19-17-36(18-20(2)37(19)31(38)21(3)33)28-13-12-24(15-34-28)27-16-35-29-25(6-5-7-26(29)30(27)39-4)23-10-8-22(14-32)9-11-23;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;1-19-17-35(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/h4-17,19-20,23-24H,21-22H2,1-3H3;4-12,15-16,19-20H,13,17-18H2,1-3H3;5-13,15-16,19-20H,17-18H2,1-4H3;5-13,15-16,19-21H,17-18,33H2,1-4H3;5-13,15-16,19-21,37H,17-18H2,1-4H3;4-12,15-16,19-20H,14,17-18,32H2,1-3H3;5-13,15-16,19-20H,17-18H2,1-4H3/t23-,24+;2*19-,20+;2*19-,20+,21?;2*19-,20+
InChIKeyMNIZAAKKEGXZGD-ULVMNNCASA-N
XLogP37.74
TPSA657.95 Ų
H-Bond Donors3
H-Bond Acceptors46
Rotatable Bonds34
Heavy Atoms277
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003711.32
LogP ≤ 537.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1046

Analyze 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 with MolForge

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Related Compounds

5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157176480
ethyl (2S)-3-[6-(7-cyano-1-methyl-2,4-dioxoquinazolin-3-yl)-3-pyridinyl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;ethyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(7-methoxy-1-methyl-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl)-3-pyridinyl]propanoate;methyl (2S)-3-[6-(7-cyano-1-methyl-2,4-dioxoquinazolin-3-yl)-3-pyridinyl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoate;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[6-(7-methoxy-1-methyl-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl)-3-pyridinyl]propanoate
CID 157488945
(2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-fluoro-4-methoxyquinolin-8-yl]benzonitrile;3-[6-[(3S,5R)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
CID 157957835
6-(3-hydroxypiperidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypiperidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxypiperidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypiperidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157962031
tert-butyl 4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate;N,2-dimethylpropanamide;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methoxy-5-propan-2-ylpyridine;N-(4-methylpentyl)acetamide;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;morpholin-4-yl-(5-propan-2-yl-3-pyridinyl)methanone;propan-2-ylcyclopropane;4-propan-2-ylmorpholine;5-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 158023245
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
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
deuterioethane;3-[6-[(3S,5R)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 158867686
CID 159867515
CID 159867515
N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide
CID 159982541
N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxyphenyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide
CID 160056513
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(propylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 160909338

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-[(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?
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-[(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) is 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.
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-[(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?
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-[(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 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)(F)F)[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)C(C)N)[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.COc1c(-c2ccc(N3C[C@@H](C)N(C(=O)c4cccnc4)[C@@H](C)C3)cc2)cnc2c(-c3ccc(C#N)cc3)cccc12.
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-[(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?
The InChIKey is MNIZAAKKEGXZGD-ULVMNNCASA-N. The full InChI is InChI=1S/C35H31N5O2.C31H28F3N5O2.C31H29F2N5O2.C31H32N6O2.C31H31N5O3.C30H30N6O2.C30H29N5O3/c1-23-21-39(22-24(2)40(23)35(41)28-6-5-17-37-19-28)29-15-13-27(14-16-29)32-20-38-33-30(7-4-8-31(33)34(32)42-3)26-11-9-25(18-36)10-12-26;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;1-19-17-37(18-20(2)38(19)30(39)31(3,32)33)27-13-12-23(15-35-27)26-16-36-28-24(6-5-7-25(28)29(26)40-4)22-10-8-21(14-34)9-11-22;1-19-17-36(18-20(2)37(19)31(38)21(3)33)28-13-12-24(15-34-28)27-16-35-29-25(6-5-7-26(29)30(27)39-4)23-10-8-22(14-32)9-11-23;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;1-19-17-35(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/h4-17,19-20,23-24H,21-22H2,1-3H3;4-12,15-16,19-20H,13,17-18H2,1-3H3;5-13,15-16,19-20H,17-18H2,1-4H3;5-13,15-16,19-21H,17-18,33H2,1-4H3;5-13,15-16,19-21,37H,17-18H2,1-4H3;4-12,15-16,19-20H,14,17-18,32H2,1-3H3;5-13,15-16,19-20H,17-18H2,1-4H3/t23-,24+;2*19-,20+;2*19-,20+,21?;2*19-,20+.
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-[(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?
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 has a molecular weight of 3711.32 g/mol, XLogP of 37.74, 34 rotatable bonds, 3 hydrogen bond donors, and 46 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-[(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 is sourced from PubChem (CID 159616547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).