[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

C129H139Cl5N14O11 — CID 158805948

IUPAC[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
SMILESCC(C)OC(=O)Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC(C)OC(=O)Nc1ccc(-c2cncc(-c3ccnc(C4OCCO4)c3)c2)c(Cl)c1.CC1(O)CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC1CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.COC1CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1
InChIInChI=1S/2C27H30ClN3O2.C27H30ClN3O.C25H27ClN2O2.C23H22ClN3O4/c1-26(2,3)24-14-18(8-10-30-24)20-12-21(16-29-15-20)22-7-6-19(13-23(22)28)25(32)31-11-5-9-27(4,33)17-31;1-27(2,3)25-14-18(9-10-30-25)20-12-21(16-29-15-20)23-8-7-19(13-24(23)28)26(32)31-11-5-6-22(17-31)33-4;1-18-6-5-11-31(17-18)26(32)20-7-8-23(24(28)13-20)22-12-21(15-29-16-22)19-9-10-30-25(14-19)27(2,3)4;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;1-14(2)31-23(28)27-18-3-4-19(20(24)11-18)17-9-16(12-25-13-17)15-5-6-26-21(10-15)22-29-7-8-30-22/h6-8,10,12-16,33H,5,9,11,17H2,1-4H3;7-10,12-16,22H,5-6,11,17H2,1-4H3;7-10,12-16,18H,5-6,11,17H2,1-4H3;6-10,12-16H,11H2,1-5H3;3-6,9-14,22H,7-8H2,1-2H3,(H,27,28)
InChIKeyIUBRGRVJSSAVFW-UHFFFAOYSA-N
MW2238.88 g/mol
LogP30.12
Rot. Bonds20

About [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

[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 (PubChem CID 158805948) has the molecular formula C129H139Cl5N14O11 and a molecular weight of 2238.88 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158805948
Molecular FormulaC129H139Cl5N14O11
Molecular Weight2238.88 g/mol
Exact Mass2234.92
IUPAC Name[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
SMILESCC(C)OC(=O)Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC(C)OC(=O)Nc1ccc(-c2cncc(-c3ccnc(C4OCCO4)c3)c2)c(Cl)c1.CC1(O)CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC1CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.COC1CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1
InChIInChI=1S/2C27H30ClN3O2.C27H30ClN3O.C25H27ClN2O2.C23H22ClN3O4/c1-26(2,3)24-14-18(8-10-30-24)20-12-21(16-29-15-20)22-7-6-19(13-23(22)28)25(32)31-11-5-9-27(4,33)17-31;1-27(2,3)25-14-18(9-10-30-25)20-12-21(16-29-15-20)23-8-7-19(13-24(23)28)26(32)31-11-5-6-22(17-31)33-4;1-18-6-5-11-31(17-18)26(32)20-7-8-23(24(28)13-20)22-12-21(15-29-16-22)19-9-10-30-25(14-19)27(2,3)4;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;1-14(2)31-23(28)27-18-3-4-19(20(24)11-18)17-9-16(12-25-13-17)15-5-6-26-21(10-15)22-29-7-8-30-22/h6-8,10,12-16,33H,5,9,11,17H2,1-4H3;7-10,12-16,22H,5-6,11,17H2,1-4H3;7-10,12-16,18H,5-6,11,17H2,1-4H3;6-10,12-16H,11H2,1-5H3;3-6,9-14,22H,7-8H2,1-2H3,(H,27,28)
InChIKeyIUBRGRVJSSAVFW-UHFFFAOYSA-N
XLogP30.12
TPSA302.38 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002238.88
LogP ≤ 530.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze [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 with MolForge

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Launch Full Analysis

Related Compounds

2-pyrrolidin-1-ylethyl N-[4-[5-(2-tert-butyl-4-pyridinyl)-6-[2-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-1,3-dioxolan-4-yl]-3-pyridinyl]-3-chlorophenyl]carbamate
CID 156077512
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
[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
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)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis(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;methyl 4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoate
CID 157766255
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
[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
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
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
tert-butyl N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoyl]piperidin-3-yl]carbamate;tert-butyl 2-piperidin-3-ylacetate;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoic acid
CID 160312252

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)OC(=O)Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC(C)OC(=O)Nc1ccc(-c2cncc(-c3ccnc(C4OCCO4)c3)c2)c(Cl)c1.CC1(O)CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC1CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.COC1CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.
What is the InChIKey of [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?
The InChIKey is IUBRGRVJSSAVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H30ClN3O2.C27H30ClN3O.C25H27ClN2O2.C23H22ClN3O4/c1-26(2,3)24-14-18(8-10-30-24)20-12-21(16-29-15-20)22-7-6-19(13-23(22)28)25(32)31-11-5-9-27(4,33)17-31;1-27(2,3)25-14-18(9-10-30-25)20-12-21(16-29-15-20)23-8-7-19(13-24(23)28)26(32)31-11-5-6-22(17-31)33-4;1-18-6-5-11-31(17-18)26(32)20-7-8-23(24(28)13-20)22-12-21(15-29-16-22)19-9-10-30-25(14-19)27(2,3)4;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;1-14(2)31-23(28)27-18-3-4-19(20(24)11-18)17-9-16(12-25-13-17)15-5-6-26-21(10-15)22-29-7-8-30-22/h6-8,10,12-16,33H,5,9,11,17H2,1-4H3;7-10,12-16,22H,5-6,11,17H2,1-4H3;7-10,12-16,18H,5-6,11,17H2,1-4H3;6-10,12-16H,11H2,1-5H3;3-6,9-14,22H,7-8H2,1-2H3,(H,27,28).
What are the key properties of [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?
[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 has a molecular weight of 2238.88 g/mol, XLogP of 30.12, 20 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158805948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).