[4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxyethyl)-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;methane

C160H178Cl5N19O10 — CID 159769654

IUPAC[4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxyethyl)-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;methane
SMILESC.CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)ncn3)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(C(C)O)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc5c4OCCO5)c3)c(Cl)c2)CC1.Cc1cc(C(=O)N2CCC(C)CC2)cc(C)c1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1.Cc1ncc(-c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)cc1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C29H35N3O.C28H32ClN3O.C26H29ClN4O.C26H28ClN3O2.C25H24ClN3O3.C25H26ClN3O2.CH4/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;1-18-9-12-32(13-10-18)27(33)21-6-7-23(25(29)15-21)22-14-24(19(2)31-17-22)20-8-11-30-26(16-20)28(3,4)5;1-17-8-11-31(12-9-17)25(32)19-5-6-20(21(27)13-19)23-15-22(29-16-30-23)18-7-10-28-24(14-18)26(2,3)4;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;1-16-5-8-29(9-6-16)25(30)17-2-3-20(22(26)13-17)18-12-19(15-27-14-18)21-4-7-28-24-23(21)31-10-11-32-24;1-16-6-9-29(10-7-16)25(31)19-3-4-22(23(26)12-19)21-11-20(14-27-15-21)18-5-8-28-24(13-18)17(2)30;/h7,10,13-19H,8-9,11-12H2,1-6H3;6-8,11,14-18H,9-10,12-13H2,1-5H3;5-7,10,13-17H,8-9,11-12H2,1-4H3;4-6,9,12-17,32H,7-8,10-11H2,1-3H3;2-4,7,12-16H,5-6,8-11H2,1H3;3-5,8,11-17,30H,6-7,9-10H2,1-2H3;1H4
InChIKeyNFYLJLSTLZZMAZ-UHFFFAOYSA-N
MW2704.57 g/mol
LogP36.26
Rot. Bonds20

About [4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxyethyl)-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;methane

[4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxyethyl)-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;methane (PubChem CID 159769654) has the molecular formula C160H178Cl5N19O10 and a molecular weight of 2704.57 g/mol. Its IUPAC name is [4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxyethyl)-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;methane.

Molecular Properties

Compound Name[4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxyethyl)-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;methane
PubChem CID159769654
Molecular FormulaC160H178Cl5N19O10
Molecular Weight2704.57 g/mol
Exact Mass2700.24
IUPAC Name[4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxyethyl)-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;methane
SMILESC.CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)ncn3)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(C(C)O)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc5c4OCCO5)c3)c(Cl)c2)CC1.Cc1cc(C(=O)N2CCC(C)CC2)cc(C)c1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1.Cc1ncc(-c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)cc1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C29H35N3O.C28H32ClN3O.C26H29ClN4O.C26H28ClN3O2.C25H24ClN3O3.C25H26ClN3O2.CH4/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;1-18-9-12-32(13-10-18)27(33)21-6-7-23(25(29)15-21)22-14-24(19(2)31-17-22)20-8-11-30-26(16-20)28(3,4)5;1-17-8-11-31(12-9-17)25(32)19-5-6-20(21(27)13-19)23-15-22(29-16-30-23)18-7-10-28-24(14-18)26(2,3)4;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;1-16-5-8-29(9-6-16)25(30)17-2-3-20(22(26)13-17)18-12-19(15-27-14-18)21-4-7-28-24-23(21)31-10-11-32-24;1-16-6-9-29(10-7-16)25(31)19-3-4-22(23(26)12-19)21-11-20(14-27-15-21)18-5-8-28-24(13-18)17(2)30;/h7,10,13-19H,8-9,11-12H2,1-6H3;6-8,11,14-18H,9-10,12-13H2,1-5H3;5-7,10,13-17H,8-9,11-12H2,1-4H3;4-6,9,12-17,32H,7-8,10-11H2,1-3H3;2-4,7,12-16H,5-6,8-11H2,1H3;3-5,8,11-17,30H,6-7,9-10H2,1-2H3;1H4
InChIKeyNFYLJLSTLZZMAZ-UHFFFAOYSA-N
XLogP36.26
TPSA348.35 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002704.57
LogP ≤ 536.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze [4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxyethyl)-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;methane with MolForge

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Launch Full Analysis

Related Compounds

1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(3-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylphenoxy)propan-2-ol;methane
CID 159699049
[3-Chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 160964852
[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-3-fluoro-4-methylpiperidin-1-yl]methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 160998907
2-tert-butyl-4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]carbamate;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate
CID 158751308
2-tert-butyl-4-[3-(2-chloro-4-methylphenyl)phenyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]carbamate;propan-2-yl N-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-N-methylcarbamate
CID 159462393

Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxyethyl)-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;methane?
The IUPAC name of [4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxyethyl)-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;methane (CID 159769654) is [4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxyethyl)-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;methane.
What is the SMILES notation for [4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxyethyl)-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;methane?
The canonical SMILES for [4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxyethyl)-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;methane is C.CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)ncn3)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(C(C)O)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc5c4OCCO5)c3)c(Cl)c2)CC1.Cc1cc(C(=O)N2CCC(C)CC2)cc(C)c1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1.Cc1ncc(-c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)cc1-c1ccnc(C(C)(C)C)c1.
What is the InChIKey of [4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxyethyl)-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;methane?
The InChIKey is NFYLJLSTLZZMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O.C28H32ClN3O.C26H29ClN4O.C26H28ClN3O2.C25H24ClN3O3.C25H26ClN3O2.CH4/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;1-18-9-12-32(13-10-18)27(33)21-6-7-23(25(29)15-21)22-14-24(19(2)31-17-22)20-8-11-30-26(16-20)28(3,4)5;1-17-8-11-31(12-9-17)25(32)19-5-6-20(21(27)13-19)23-15-22(29-16-30-23)18-7-10-28-24(14-18)26(2,3)4;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;1-16-5-8-29(9-6-16)25(30)17-2-3-20(22(26)13-17)18-12-19(15-27-14-18)21-4-7-28-24-23(21)31-10-11-32-24;1-16-6-9-29(10-7-16)25(31)19-3-4-22(23(26)12-19)21-11-20(14-27-15-21)18-5-8-28-24(13-18)17(2)30;/h7,10,13-19H,8-9,11-12H2,1-6H3;6-8,11,14-18H,9-10,12-13H2,1-5H3;5-7,10,13-17H,8-9,11-12H2,1-4H3;4-6,9,12-17,32H,7-8,10-11H2,1-3H3;2-4,7,12-16H,5-6,8-11H2,1H3;3-5,8,11-17,30H,6-7,9-10H2,1-2H3;1H4.
What are the key properties of [4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxyethyl)-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;methane?
[4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxyethyl)-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;methane has a molecular weight of 2704.57 g/mol, XLogP of 36.26, 20 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(1-hydroxyethyl)-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;methane is sourced from PubChem (CID 159769654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).