[4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate

C168H182Cl6N18O13 — CID 158795918

IUPAC[4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate
SMILESCC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)cc4ncccc34)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)CO)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)O)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5(C)OCCO5)c4)c3)c(Cl)c2)CC1.CCOC(=O)CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(C)CC4)cc3Cl)c2)ccn1.COC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(C)CC4)cc3Cl)c2)ccn1
InChIInChI=1S/C31H32ClN3O.C30H34ClN3O3.C27H28ClN3O3.2C27H30ClN3O2.C26H28ClN3O2/c1-20-10-14-35(15-11-20)30(36)22-7-8-24(27(32)17-22)26-16-23(18-28-25(26)6-5-12-33-28)21-9-13-34-29(19-21)31(2,3)4;1-5-37-28(35)17-30(3,4)27-16-21(8-11-33-27)23-14-24(19-32-18-23)25-7-6-22(15-26(25)31)29(36)34-12-9-20(2)10-13-34;1-18-6-9-31(10-7-18)26(32)20-3-4-23(24(28)14-20)22-13-21(16-29-17-22)19-5-8-30-25(15-19)27(2)33-11-12-34-27;1-18-8-11-31(12-9-18)26(32)20-5-6-23(24(28)14-20)22-13-21(16-29-17-22)19-7-10-30-25(15-19)27(2,3)33-4;1-18-7-10-31(11-8-18)26(33)20-4-5-23(24(28)13-20)22-12-21(15-29-16-22)19-6-9-30-25(14-19)27(2,3)17-32;1-17-7-10-30(11-8-17)25(31)19-4-5-22(23(27)13-19)21-12-20(15-28-16-21)18-6-9-29-24(14-18)26(2,3)32/h5-9,12-13,16-20H,10-11,14-15H2,1-4H3;6-8,11,14-16,18-20H,5,9-10,12-13,17H2,1-4H3;3-5,8,13-18H,6-7,9-12H2,1-2H3;5-7,10,13-18H,8-9,11-12H2,1-4H3;4-6,9,12-16,18,32H,7-8,10-11,17H2,1-3H3;4-6,9,12-17,32H,7-8,10-11H2,1-3H3
InChIKeyISWBCFWJJVYOBB-UHFFFAOYSA-N
MW2874.13 g/mol
LogP37.30
Rot. Bonds28

About [4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate

[4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate (PubChem CID 158795918) has the molecular formula C168H182Cl6N18O13 and a molecular weight of 2874.13 g/mol. Its IUPAC name is [4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate.

Molecular Properties

Compound Name[4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate
PubChem CID158795918
Molecular FormulaC168H182Cl6N18O13
Molecular Weight2874.13 g/mol
Exact Mass2869.23
IUPAC Name[4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate
SMILESCC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)cc4ncccc34)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)CO)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)O)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5(C)OCCO5)c4)c3)c(Cl)c2)CC1.CCOC(=O)CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(C)CC4)cc3Cl)c2)ccn1.COC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(C)CC4)cc3Cl)c2)ccn1
InChIInChI=1S/C31H32ClN3O.C30H34ClN3O3.C27H28ClN3O3.2C27H30ClN3O2.C26H28ClN3O2/c1-20-10-14-35(15-11-20)30(36)22-7-8-24(27(32)17-22)26-16-23(18-28-25(26)6-5-12-33-28)21-9-13-34-29(19-21)31(2,3)4;1-5-37-28(35)17-30(3,4)27-16-21(8-11-33-27)23-14-24(19-32-18-23)25-7-6-22(15-26(25)31)29(36)34-12-9-20(2)10-13-34;1-18-6-9-31(10-7-18)26(32)20-3-4-23(24(28)14-20)22-13-21(16-29-17-22)19-5-8-30-25(15-19)27(2)33-11-12-34-27;1-18-8-11-31(12-9-18)26(32)20-5-6-23(24(28)14-20)22-13-21(16-29-17-22)19-7-10-30-25(15-19)27(2,3)33-4;1-18-7-10-31(11-8-18)26(33)20-4-5-23(24(28)13-20)22-12-21(15-29-16-22)19-6-9-30-25(14-19)27(2,3)17-32;1-17-7-10-30(11-8-17)25(31)19-4-5-22(23(27)13-19)21-12-20(15-28-16-21)18-6-9-29-24(14-18)26(2,3)32/h5-9,12-13,16-20H,10-11,14-15H2,1-4H3;6-8,11,14-16,18-20H,5,9-10,12-13,17H2,1-4H3;3-5,8,13-18H,6-7,9-12H2,1-2H3;5-7,10,13-18H,8-9,11-12H2,1-4H3;4-6,9,12-16,18,32H,7-8,10-11,17H2,1-3H3;4-6,9,12-17,32H,7-8,10-11H2,1-3H3
InChIKeyISWBCFWJJVYOBB-UHFFFAOYSA-N
XLogP37.30
TPSA370.99 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002874.13
LogP ≤ 537.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze [4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate with MolForge

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Launch Full Analysis

Related Compounds

[4-[5-(2-tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)quinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3H-furo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 157063976
[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone;propan-2-yl N-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]carbamate
CID 157469746
[4-[5-(2-tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)quinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3H-furo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 158401243
[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methoxypiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl N-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]carbamate
CID 158805948
2-chlorobenzoyl chloride;(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl] 2-chlorobenzoate
CID 159413304
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
[3-Chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxan-4-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate
CID 159924278
N-butyl-4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(3-hydroxypropyl)benzamide;2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-hydroxy-5-methylazepan-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxycyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate;propan-2-yl 2-[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate
CID 160194084
[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)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;[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-methylphenyl]-(4-methylpiperidin-1-yl)methanone;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]acetate
CID 161964051
[3-Chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxan-4-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate
CID 162251378

Frequently Asked Questions

What is the IUPAC name of [4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate?
The IUPAC name of [4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate (CID 158795918) is [4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate.
What is the SMILES notation for [4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate?
The canonical SMILES for [4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate is CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)cc4ncccc34)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)CO)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)O)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5(C)OCCO5)c4)c3)c(Cl)c2)CC1.CCOC(=O)CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(C)CC4)cc3Cl)c2)ccn1.COC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(C)CC4)cc3Cl)c2)ccn1.
What is the InChIKey of [4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate?
The InChIKey is ISWBCFWJJVYOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClN3O.C30H34ClN3O3.C27H28ClN3O3.2C27H30ClN3O2.C26H28ClN3O2/c1-20-10-14-35(15-11-20)30(36)22-7-8-24(27(32)17-22)26-16-23(18-28-25(26)6-5-12-33-28)21-9-13-34-29(19-21)31(2,3)4;1-5-37-28(35)17-30(3,4)27-16-21(8-11-33-27)23-14-24(19-32-18-23)25-7-6-22(15-26(25)31)29(36)34-12-9-20(2)10-13-34;1-18-6-9-31(10-7-18)26(32)20-3-4-23(24(28)14-20)22-13-21(16-29-17-22)19-5-8-30-25(15-19)27(2)33-11-12-34-27;1-18-8-11-31(12-9-18)26(32)20-5-6-23(24(28)14-20)22-13-21(16-29-17-22)19-7-10-30-25(15-19)27(2,3)33-4;1-18-7-10-31(11-8-18)26(33)20-4-5-23(24(28)13-20)22-12-21(15-29-16-22)19-6-9-30-25(14-19)27(2,3)17-32;1-17-7-10-30(11-8-17)25(31)19-4-5-22(23(27)13-19)21-12-20(15-28-16-21)18-6-9-29-24(14-18)26(2,3)32/h5-9,12-13,16-20H,10-11,14-15H2,1-4H3;6-8,11,14-16,18-20H,5,9-10,12-13,17H2,1-4H3;3-5,8,13-18H,6-7,9-12H2,1-2H3;5-7,10,13-18H,8-9,11-12H2,1-4H3;4-6,9,12-16,18,32H,7-8,10-11,17H2,1-3H3;4-6,9,12-17,32H,7-8,10-11H2,1-3H3.
What are the key properties of [4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate?
[4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate has a molecular weight of 2874.13 g/mol, XLogP of 37.30, 28 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-(2-tert-butyl-4-pyridinyl)quinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate is sourced from PubChem (CID 158795918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).