1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate

C194H219Cl7N16O10 — CID 158884161

IUPAC1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate
SMILESCC(C)(C)c1cc(-c2cncc(-c3ccc(CC(=O)CC4CCCCC4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(CC(=O)CCCN4CCCC4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(CC(=O)OC4CCCCC4)cc3Cl)c2)ccn1.CC(C)CC(=O)Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC(C)OC(=O)Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC1CCC(OC(=O)Cc2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)Cc2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1
InChIInChI=1S/C29H34ClN3O.C29H33ClN2O2.C29H33ClN2O.C28H32ClN3O.C28H31ClN2O2.C26H29ClN2O.C25H27ClN2O2/c1-29(2,3)28-18-22(10-11-32-28)23-17-24(20-31-19-23)26-9-8-21(16-27(26)30)15-25(34)7-6-14-33-12-4-5-13-33;1-19-5-8-24(9-6-19)34-28(33)14-20-7-10-25(26(30)13-20)23-15-22(17-31-18-23)21-11-12-32-27(16-21)29(2,3)4;1-29(2,3)28-17-22(11-12-32-28)23-16-24(19-31-18-23)26-10-9-21(15-27(26)30)14-25(33)13-20-7-5-4-6-8-20;1-19-8-11-32(12-9-19)27(33)14-20-5-6-24(25(29)13-20)23-15-22(17-30-18-23)21-7-10-31-26(16-21)28(2,3)4;1-28(2,3)26-16-20(11-12-31-26)21-15-22(18-30-17-21)24-10-9-19(13-25(24)29)14-27(32)33-23-7-5-4-6-8-23;1-17(2)10-22(30)11-18-6-7-23(24(27)12-18)21-13-20(15-28-16-21)19-8-9-29-25(14-19)26(3,4)5;1-16(2)30-24(29)11-17-6-7-21(22(26)10-17)20-12-19(14-27-15-20)18-8-9-28-23(13-18)25(3,4)5/h8-11,16-20H,4-7,12-15H2,1-3H3;7,10-13,15-19,24H,5-6,8-9,14H2,1-4H3;9-12,15-20H,4-8,13-14H2,1-3H3;5-7,10,13,15-19H,8-9,11-12,14H2,1-4H3;9-13,15-18,23H,4-8,14H2,1-3H3;6-9,12-17H,10-11H2,1-5H3;6-10,12-16H,11H2,1-5H3
InChIKeyJDKCHYLYOUYFMC-UHFFFAOYSA-N
MW3183.16 g/mol
LogP48.94
Rot. Bonds39

About 1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate

1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate (PubChem CID 158884161) has the molecular formula C194H219Cl7N16O10 and a molecular weight of 3183.16 g/mol. Its IUPAC name is 1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate.

Molecular Properties

Compound Name1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate
PubChem CID158884161
Molecular FormulaC194H219Cl7N16O10
Molecular Weight3183.16 g/mol
Exact Mass3177.49
IUPAC Name1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate
SMILESCC(C)(C)c1cc(-c2cncc(-c3ccc(CC(=O)CC4CCCCC4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(CC(=O)CCCN4CCCC4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(CC(=O)OC4CCCCC4)cc3Cl)c2)ccn1.CC(C)CC(=O)Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC(C)OC(=O)Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC1CCC(OC(=O)Cc2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)Cc2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1
InChIInChI=1S/C29H34ClN3O.C29H33ClN2O2.C29H33ClN2O.C28H32ClN3O.C28H31ClN2O2.C26H29ClN2O.C25H27ClN2O2/c1-29(2,3)28-18-22(10-11-32-28)23-17-24(20-31-19-23)26-9-8-21(16-27(26)30)15-25(34)7-6-14-33-12-4-5-13-33;1-19-5-8-24(9-6-19)34-28(33)14-20-7-10-25(26(30)13-20)23-15-22(17-31-18-23)21-11-12-32-27(16-21)29(2,3)4;1-29(2,3)28-17-22(11-12-32-28)23-16-24(19-31-18-23)26-10-9-21(15-27(26)30)14-25(33)13-20-7-5-4-6-8-20;1-19-8-11-32(12-9-19)27(33)14-20-5-6-24(25(29)13-20)23-15-22(17-30-18-23)21-7-10-31-26(16-21)28(2,3)4;1-28(2,3)26-16-20(11-12-31-26)21-15-22(18-30-17-21)24-10-9-19(13-25(24)29)14-27(32)33-23-7-5-4-6-8-23;1-17(2)10-22(30)11-18-6-7-23(24(27)12-18)21-13-20(15-28-16-21)19-8-9-29-25(14-19)26(3,4)5;1-16(2)30-24(29)11-17-6-7-21(22(26)10-17)20-12-19(14-27-15-20)18-8-9-28-23(13-18)25(3,4)5/h8-11,16-20H,4-7,12-15H2,1-3H3;7,10-13,15-19,24H,5-6,8-9,14H2,1-4H3;9-12,15-20H,4-8,13-14H2,1-3H3;5-7,10,13,15-19H,8-9,11-12,14H2,1-4H3;9-13,15-18,23H,4-8,14H2,1-3H3;6-9,12-17H,10-11H2,1-5H3;6-10,12-16H,11H2,1-5H3
InChIKeyJDKCHYLYOUYFMC-UHFFFAOYSA-N
XLogP48.94
TPSA334.12 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds39
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003183.16
LogP ≤ 548.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate 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

[3-[5-(2-Tert-butyl-4-pyridinyl)-3-pyridinyl]-4-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]-(4-methylcyclohexyl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylcyclohexyl)methanone;[3-chloro-4-[5-[2-(oxetan-3-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylcyclohexyl)methanone
CID 160031764
2-[4-[5-(2-Tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;2-pyrrolidin-1-ylethyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate
CID 157055507
2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3R,5S)-3-hydroxy-5-methylpiperidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3S,5S)-3-hydroxy-5-methylpiperidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3R,5R)-3-hydroxy-5-methylpiperidin-1-yl]methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]acetate;propan-2-yl 2-[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate
CID 157231663
tert-butyl N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoyl]piperidin-3-yl]carbamate;[4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methoxypiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate
CID 157656320
1-[4-[5-(2-Tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4,4-dimethylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-(4-methylcyclohexyl)propan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone
CID 157775153
[4-[5-(2-Tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-5-methylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dichlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxetan-3-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylcyclohexyl)methanone
CID 158003342
[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3R,4R)-3-hydroxy-4-methylpiperidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3S,4R)-3-hydroxy-4-methylpiperidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]methanone
CID 158437094
2-[4-[3-(2-Tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl 2-[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]acetate;propan-2-yl 2-[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate
CID 158671116
1-[4-[5-(2-Tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4,4-dimethylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-(4-methylcyclohexyl)propan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one
CID 159455953
2-[4-[5-(2-Tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;2-pyrrolidin-1-ylethyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate
CID 159517330
4-[5-(2-Tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloroaniline;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl carbonochloridate
CID 159801182
4-[5-(2-Tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloroaniline;cyclohexane-1,4-diol;(4-hydroxycyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate
CID 160073113

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate?
The IUPAC name of 1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate (CID 158884161) is 1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate.
What is the SMILES notation for 1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate?
The canonical SMILES for 1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate is CC(C)(C)c1cc(-c2cncc(-c3ccc(CC(=O)CC4CCCCC4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(CC(=O)CCCN4CCCC4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(CC(=O)OC4CCCCC4)cc3Cl)c2)ccn1.CC(C)CC(=O)Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC(C)OC(=O)Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC1CCC(OC(=O)Cc2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)Cc2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.
What is the InChIKey of 1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate?
The InChIKey is JDKCHYLYOUYFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN3O.C29H33ClN2O2.C29H33ClN2O.C28H32ClN3O.C28H31ClN2O2.C26H29ClN2O.C25H27ClN2O2/c1-29(2,3)28-18-22(10-11-32-28)23-17-24(20-31-19-23)26-9-8-21(16-27(26)30)15-25(34)7-6-14-33-12-4-5-13-33;1-19-5-8-24(9-6-19)34-28(33)14-20-7-10-25(26(30)13-20)23-15-22(17-31-18-23)21-11-12-32-27(16-21)29(2,3)4;1-29(2,3)28-17-22(11-12-32-28)23-16-24(19-31-18-23)26-10-9-21(15-27(26)30)14-25(33)13-20-7-5-4-6-8-20;1-19-8-11-32(12-9-19)27(33)14-20-5-6-24(25(29)13-20)23-15-22(17-30-18-23)21-7-10-31-26(16-21)28(2,3)4;1-28(2,3)26-16-20(11-12-31-26)21-15-22(18-30-17-21)24-10-9-19(13-25(24)29)14-27(32)33-23-7-5-4-6-8-23;1-17(2)10-22(30)11-18-6-7-23(24(27)12-18)21-13-20(15-28-16-21)19-8-9-29-25(14-19)26(3,4)5;1-16(2)30-24(29)11-17-6-7-21(22(26)10-17)20-12-19(14-27-15-20)18-8-9-28-23(13-18)25(3,4)5/h8-11,16-20H,4-7,12-15H2,1-3H3;7,10-13,15-19,24H,5-6,8-9,14H2,1-4H3;9-12,15-20H,4-8,13-14H2,1-3H3;5-7,10,13,15-19H,8-9,11-12,14H2,1-4H3;9-13,15-18,23H,4-8,14H2,1-3H3;6-9,12-17H,10-11H2,1-5H3;6-10,12-16H,11H2,1-5H3.
What are the key properties of 1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate?
1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate has a molecular weight of 3183.16 g/mol, XLogP of 48.94, 39 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate is sourced from PubChem (CID 158884161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).