[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

C138H152Cl5FN14O6 — CID 158003342

IUPAC[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
SMILESCC1CCC(C(=O)c2ccc(-c3cncc(-c4ccnc(C5COC5)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2cc(Cl)c(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3F)c(Cl)c2)CC1.Cc1cc(C(=O)N2CCC(C)CC2)cc(C)c1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1.Cc1cc(C(=O)N2CCC(C)CC2)cc(Cl)c1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1
InChIInChI=1S/C29H35N3O.C28H32ClN3O.C27H29Cl2N3O.C27H29ClFN3O.C27H27ClN2O2/c1-19-8-11-32(12-9-19)28(33)23-13-20(2)27(21(3)14-23)25-15-24(17-30-18-25)22-7-10-31-26(16-22)29(4,5)6;1-18-7-10-32(11-8-18)27(33)21-12-19(2)26(24(29)14-21)23-13-22(16-30-17-23)20-6-9-31-25(15-20)28(3,4)5;1-17-6-9-32(10-7-17)26(33)19-12-22(28)25(23(29)13-19)21-11-20(15-30-16-21)18-5-8-31-24(14-18)27(2,3)4;1-17-8-11-32(12-9-17)26(33)19-5-6-20(23(28)13-19)22-16-30-15-21(25(22)29)18-7-10-31-24(14-18)27(2,3)4;1-17-2-4-18(5-3-17)27(31)20-6-7-24(25(28)11-20)22-10-21(13-29-14-22)19-8-9-30-26(12-19)23-15-32-16-23/h7,10,13-19H,8-9,11-12H2,1-6H3;6,9,12-18H,7-8,10-11H2,1-5H3;5,8,11-17H,6-7,9-10H2,1-4H3;5-7,10,13-17H,8-9,11-12H2,1-4H3;6-14,17-18,23H,2-5,15-16H2,1H3
InChIKeyFDZNEDIVUATFLD-UHFFFAOYSA-N
MW2299.09 g/mol
LogP34.19
Rot. Bonds17

About [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

[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 (PubChem CID 158003342) has the molecular formula C138H152Cl5FN14O6 and a molecular weight of 2299.09 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158003342
Molecular FormulaC138H152Cl5FN14O6
Molecular Weight2299.09 g/mol
Exact Mass2295.04
IUPAC Name[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
SMILESCC1CCC(C(=O)c2ccc(-c3cncc(-c4ccnc(C5COC5)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2cc(Cl)c(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3F)c(Cl)c2)CC1.Cc1cc(C(=O)N2CCC(C)CC2)cc(C)c1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1.Cc1cc(C(=O)N2CCC(C)CC2)cc(Cl)c1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1
InChIInChI=1S/C29H35N3O.C28H32ClN3O.C27H29Cl2N3O.C27H29ClFN3O.C27H27ClN2O2/c1-19-8-11-32(12-9-19)28(33)23-13-20(2)27(21(3)14-23)25-15-24(17-30-18-25)22-7-10-31-26(16-22)29(4,5)6;1-18-7-10-32(11-8-18)27(33)21-12-19(2)26(24(29)14-21)23-13-22(16-30-17-23)20-6-9-31-25(15-20)28(3,4)5;1-17-6-9-32(10-7-17)26(33)19-12-22(28)25(23(29)13-19)21-11-20(15-30-16-21)18-5-8-31-24(14-18)27(2,3)4;1-17-8-11-32(12-9-17)26(33)19-5-6-20(23(28)13-19)22-16-30-15-21(25(22)29)18-7-10-31-24(14-18)27(2,3)4;1-17-2-4-18(5-3-17)27(31)20-6-7-24(25(28)11-20)22-10-21(13-29-14-22)19-8-9-30-26(12-19)23-15-32-16-23/h7,10,13-19H,8-9,11-12H2,1-6H3;6,9,12-18H,7-8,10-11H2,1-5H3;5,8,11-17H,6-7,9-10H2,1-4H3;5-7,10,13-17H,8-9,11-12H2,1-4H3;6-14,17-18,23H,2-5,15-16H2,1H3
InChIKeyFDZNEDIVUATFLD-UHFFFAOYSA-N
XLogP34.19
TPSA236.44 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002299.09
LogP ≤ 534.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze [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 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

[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-difluoro-4-methylidenepiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-fluoro-4-methylidenepiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate
CID 158455350
[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
CID 158721479
[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-difluoro-4-methylidenepiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-fluoro-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]-(4-methylpiperidin-1-yl)methanone
CID 159840233
2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methyl-N-propan-2-ylbenzenesulfonamide;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxetan-3-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 159981427
[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-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]-(4-methylpiperidin-1-yl)methanone;bis(4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methyl-N-propan-2-ylbenzenesulfonamide);[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxetan-3-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 161057487
[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-methylaniline;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[4-[2-(2-tert-butyl-4-pyridinyl)-4-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone
CID 157049809
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
(3-Chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[1,1-dideuterio-3-(5-methyl-2-pyridinyl)propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone
CID 157418984
3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane
CID 157444510
(3-Chloro-4-fluorophenyl)-[2,2,3,3,5,5-hexadeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[2,2,3,3-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]piperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[2,2,5,5-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]piperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2,6,6-tetradeuterio-4-fluoro-4-[1,1,3,3-tetradeuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]piperidin-1-yl]methanone
CID 157478913
(3-Chloro-4-fluorophenyl)-[2,2-dideuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[2,2-dideuterio-4-[3,3-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone;bis((3-chloro-4-fluorophenyl)-[3,3-dideuterio-4-[1,1-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);bis((3-chloro-4-fluorophenyl)-[3,3-dideuterio-4-[3,3-dideuterio-3-[5-(1,1-dideuterioethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone);(3-chloro-4-fluorophenyl)-[2,2-dideuterio-4-[1,1-dideuterio-3-[5-(trideuteriomethyl)-2-pyridinyl]propyl]-4-fluoropiperidin-1-yl]methanone
CID 157478919

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC1CCC(C(=O)c2ccc(-c3cncc(-c4ccnc(C5COC5)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2cc(Cl)c(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3F)c(Cl)c2)CC1.Cc1cc(C(=O)N2CCC(C)CC2)cc(C)c1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1.Cc1cc(C(=O)N2CCC(C)CC2)cc(Cl)c1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1.
What is the InChIKey of [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?
The InChIKey is FDZNEDIVUATFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O.C28H32ClN3O.C27H29Cl2N3O.C27H29ClFN3O.C27H27ClN2O2/c1-19-8-11-32(12-9-19)28(33)23-13-20(2)27(21(3)14-23)25-15-24(17-30-18-25)22-7-10-31-26(16-22)29(4,5)6;1-18-7-10-32(11-8-18)27(33)21-12-19(2)26(24(29)14-21)23-13-22(16-30-17-23)20-6-9-31-25(15-20)28(3,4)5;1-17-6-9-32(10-7-17)26(33)19-12-22(28)25(23(29)13-19)21-11-20(15-30-16-21)18-5-8-31-24(14-18)27(2,3)4;1-17-8-11-32(12-9-17)26(33)19-5-6-20(23(28)13-19)22-16-30-15-21(25(22)29)18-7-10-31-24(14-18)27(2,3)4;1-17-2-4-18(5-3-17)27(31)20-6-7-24(25(28)11-20)22-10-21(13-29-14-22)19-8-9-30-26(12-19)23-15-32-16-23/h7,10,13-19H,8-9,11-12H2,1-6H3;6,9,12-18H,7-8,10-11H2,1-5H3;5,8,11-17H,6-7,9-10H2,1-4H3;5-7,10,13-17H,8-9,11-12H2,1-4H3;6-14,17-18,23H,2-5,15-16H2,1H3.
What are the key properties of [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?
[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 has a molecular weight of 2299.09 g/mol, XLogP of 34.19, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158003342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).