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

C152H158Cl6N14O8 — CID 158671116

IUPAC2-[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
SMILESCC(C)OC(=O)Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)CO)c3)c2)c(Cl)c1.CC(C)OC(=O)Cc1ccc(-c2cncc(-c3ccnc(C4CC4)c3)c2)c(Cl)c1.CC1CCN(C(=O)Cc2ccc(-c3cccc(-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.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)CC1.Cc1ccc(-c2cncc(-c3ccnc(C4CC4)c3)c2)c(Cl)c1
InChIInChI=1S/C29H33ClN2O.C28H32ClN3O.C26H26ClN3O.C25H27ClN2O3.C24H23ClN2O2.C20H17ClN2/c1-20-11-14-32(15-12-20)28(33)17-21-8-9-25(26(30)16-21)24-7-5-6-22(18-24)23-10-13-31-27(19-23)29(2,3)4;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;1-17-7-10-30(11-8-17)26(31)20-4-5-23(24(27)13-20)22-12-21(15-28-16-22)19-6-9-29-25(14-19)18-2-3-18;1-16(2)31-24(30)10-17-5-6-21(22(26)9-17)20-11-19(13-27-14-20)18-7-8-28-23(12-18)25(3,4)15-29;1-15(2)29-24(28)10-16-3-6-21(22(25)9-16)20-11-19(13-26-14-20)18-7-8-27-23(12-18)17-4-5-17;1-13-2-5-18(19(21)8-13)17-9-16(11-22-12-17)15-6-7-23-20(10-15)14-3-4-14/h5-10,13,16,18-20H,11-12,14-15,17H2,1-4H3;5-7,10,13,15-19H,8-9,11-12,14H2,1-4H3;4-6,9,12-18H,2-3,7-8,10-11H2,1H3;5-9,11-14,16,29H,10,15H2,1-4H3;3,6-9,11-15,17H,4-5,10H2,1-2H3;2,5-12,14H,3-4H2,1H3
InChIKeyIDYQGRXIHGPLEX-UHFFFAOYSA-N
MW2521.74 g/mol
LogP36.66
Rot. Bonds28

About 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

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 (PubChem CID 158671116) has the molecular formula C152H158Cl6N14O8 and a molecular weight of 2521.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158671116
Molecular FormulaC152H158Cl6N14O8
Molecular Weight2521.74 g/mol
Exact Mass2517.05
IUPAC Name2-[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
SMILESCC(C)OC(=O)Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)CO)c3)c2)c(Cl)c1.CC(C)OC(=O)Cc1ccc(-c2cncc(-c3ccnc(C4CC4)c3)c2)c(Cl)c1.CC1CCN(C(=O)Cc2ccc(-c3cccc(-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.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)CC1.Cc1ccc(-c2cncc(-c3ccnc(C4CC4)c3)c2)c(Cl)c1
InChIInChI=1S/C29H33ClN2O.C28H32ClN3O.C26H26ClN3O.C25H27ClN2O3.C24H23ClN2O2.C20H17ClN2/c1-20-11-14-32(15-12-20)28(33)17-21-8-9-25(26(30)16-21)24-7-5-6-22(18-24)23-10-13-31-27(19-23)29(2,3)4;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;1-17-7-10-30(11-8-17)26(31)20-4-5-23(24(27)13-20)22-12-21(15-28-16-22)19-6-9-29-25(14-19)18-2-3-18;1-16(2)31-24(30)10-17-5-6-21(22(26)9-17)20-11-19(13-27-14-20)18-7-8-28-23(12-18)25(3,4)15-29;1-15(2)29-24(28)10-16-3-6-21(22(25)9-16)20-11-19(13-26-14-20)18-7-8-27-23(12-18)17-4-5-17;1-13-2-5-18(19(21)8-13)17-9-16(11-22-12-17)15-6-7-23-20(10-15)14-3-4-14/h5-10,13,16,18-20H,11-12,14-15,17H2,1-4H3;5-7,10,13,15-19H,8-9,11-12,14H2,1-4H3;4-6,9,12-18H,2-3,7-8,10-11H2,1H3;5-9,11-14,16,29H,10,15H2,1-4H3;3,6-9,11-15,17H,4-5,10H2,1-2H3;2,5-12,14H,3-4H2,1H3
InChIKeyIDYQGRXIHGPLEX-UHFFFAOYSA-N
XLogP36.66
TPSA275.55 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002521.74
LogP ≤ 536.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 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 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-Chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 157948507
[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
[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
[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
Ethyl 3-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate
CID 156066735
[4-[(2E,4Z)-4-[2-[1-[6-tert-butyl-4-[5-[2-chloro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpropan-2-yl]-4-pyridinyl]-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 156077590
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
[4-[5-(3-tert-butylphenyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]pyrrolidin-2-one;1-[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]pyrrolidin-2-one;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate;propan-2-yl N-[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-N-methylcarbamate
CID 157140096
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-Azabicyclo[3.1.0]hexan-6-ol;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoic acid;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)methanone;hydrochloride
CID 157299401
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
[4-[5-(2-Tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 157665418

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)OC(=O)Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)CO)c3)c2)c(Cl)c1.CC(C)OC(=O)Cc1ccc(-c2cncc(-c3ccnc(C4CC4)c3)c2)c(Cl)c1.CC1CCN(C(=O)Cc2ccc(-c3cccc(-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.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)CC1.Cc1ccc(-c2cncc(-c3ccnc(C4CC4)c3)c2)c(Cl)c1.
What is the InChIKey of 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?
The InChIKey is IDYQGRXIHGPLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN2O.C28H32ClN3O.C26H26ClN3O.C25H27ClN2O3.C24H23ClN2O2.C20H17ClN2/c1-20-11-14-32(15-12-20)28(33)17-21-8-9-25(26(30)16-21)24-7-5-6-22(18-24)23-10-13-31-27(19-23)29(2,3)4;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;1-17-7-10-30(11-8-17)26(31)20-4-5-23(24(27)13-20)22-12-21(15-28-16-22)19-6-9-29-25(14-19)18-2-3-18;1-16(2)31-24(30)10-17-5-6-21(22(26)9-17)20-11-19(13-27-14-20)18-7-8-28-23(12-18)25(3,4)15-29;1-15(2)29-24(28)10-16-3-6-21(22(25)9-16)20-11-19(13-26-14-20)18-7-8-27-23(12-18)17-4-5-17;1-13-2-5-18(19(21)8-13)17-9-16(11-22-12-17)15-6-7-23-20(10-15)14-3-4-14/h5-10,13,16,18-20H,11-12,14-15,17H2,1-4H3;5-7,10,13,15-19H,8-9,11-12,14H2,1-4H3;4-6,9,12-18H,2-3,7-8,10-11H2,1H3;5-9,11-14,16,29H,10,15H2,1-4H3;3,6-9,11-15,17H,4-5,10H2,1-2H3;2,5-12,14H,3-4H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2521.74 g/mol, XLogP of 36.66, 28 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158671116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).