(3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylpyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpyrrolidin-1-yl)methanone

C160H176Cl6N18O8 — CID 157436962

IUPAC(3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylpyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CC(C(C)(C)C)C4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC4C(C)(C)O)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCCC4CO)cc3Cl)c2)ccn1.CC1(C)CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC1(C)CN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1
InChIInChI=1S/C28H32ClN3O.C27H30ClN3O2.C27H30ClN3O.C26H28ClN3O2.2C26H28ClN3O/c1-27(2,3)22-16-32(17-22)26(33)19-7-8-23(24(29)12-19)21-11-20(14-30-15-21)18-9-10-31-25(13-18)28(4,5)6;1-26(2,3)23-14-17(8-10-30-23)19-12-20(16-29-15-19)21-7-6-18(13-22(21)28)25(32)31-11-9-24(31)27(4,5)33;1-26(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)31-11-9-27(4,5)17-31;1-26(2,3)24-13-17(8-9-29-24)19-11-20(15-28-14-19)22-7-6-18(12-23(22)27)25(32)30-10-4-5-21(30)16-31;1-25(2,3)23-12-17(8-9-29-23)19-10-20(14-28-13-19)21-7-6-18(11-22(21)27)24(31)30-15-26(4,5)16-30;1-17-8-10-30(16-17)25(31)19-5-6-22(23(27)12-19)21-11-20(14-28-15-21)18-7-9-29-24(13-18)26(2,3)4/h7-15,22H,16-17H2,1-6H3;6-8,10,12-16,24,33H,9,11H2,1-5H3;6-8,10,12-16H,9,11,17H2,1-5H3;6-9,11-15,21,31H,4-5,10,16H2,1-3H3;6-14H,15-16H2,1-5H3;5-7,9,11-15,17H,8,10,16H2,1-4H3
InChIKeyBRFJRYOOLIQESM-UHFFFAOYSA-N
MW2692.00 g/mol
LogP37.11
Rot. Bonds20

About (3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylpyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpyrrolidin-1-yl)methanone

(3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylpyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 157436962) has the molecular formula C160H176Cl6N18O8 and a molecular weight of 2692.00 g/mol. Its IUPAC name is (3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylpyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylpyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpyrrolidin-1-yl)methanone
PubChem CID157436962
Molecular FormulaC160H176Cl6N18O8
Molecular Weight2692.00 g/mol
Exact Mass2687.20
IUPAC Name(3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylpyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CC(C(C)(C)C)C4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC4C(C)(C)O)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCCC4CO)cc3Cl)c2)ccn1.CC1(C)CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC1(C)CN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1
InChIInChI=1S/C28H32ClN3O.C27H30ClN3O2.C27H30ClN3O.C26H28ClN3O2.2C26H28ClN3O/c1-27(2,3)22-16-32(17-22)26(33)19-7-8-23(24(29)12-19)21-11-20(14-30-15-21)18-9-10-31-25(13-18)28(4,5)6;1-26(2,3)23-14-17(8-10-30-23)19-12-20(16-29-15-19)21-7-6-18(13-22(21)28)25(32)31-11-9-24(31)27(4,5)33;1-26(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)31-11-9-27(4,5)17-31;1-26(2,3)24-13-17(8-9-29-24)19-11-20(15-28-14-19)22-7-6-18(12-23(22)27)25(32)30-10-4-5-21(30)16-31;1-25(2,3)23-12-17(8-9-29-23)19-10-20(14-28-13-19)21-7-6-18(11-22(21)27)24(31)30-15-26(4,5)16-30;1-17-8-10-30(16-17)25(31)19-5-6-22(23(27)12-19)21-11-20(14-28-15-21)18-7-9-29-24(13-18)26(2,3)4/h7-15,22H,16-17H2,1-6H3;6-8,10,12-16,24,33H,9,11H2,1-5H3;6-8,10,12-16H,9,11,17H2,1-5H3;6-9,11-15,21,31H,4-5,10,16H2,1-3H3;6-14H,15-16H2,1-5H3;5-7,9,11-15,17H,8,10,16H2,1-4H3
InChIKeyBRFJRYOOLIQESM-UHFFFAOYSA-N
XLogP37.11
TPSA317.00 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002692.00
LogP ≤ 537.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze (3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylpyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpyrrolidin-1-yl)methanone with MolForge

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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]-(3,3-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
[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]-(3-hydroxy-4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(6-methyl-2-azaspiro[3.3]heptan-2-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone
CID 160601162
[4-[5-[2-[1-[3-(2-Tert-butyl-4-pyridinyl)-5-[2-chloro-4-[3-(2-hydroxypropan-2-yl)azetidine-1-carbonyl]phenyl]-2-pyridinyl]-2-methylpropan-2-yl]-4-pyridinyl]-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone
CID 156077589
[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
[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
[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 157433390
1-[4-[5-(2-Tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4,4-dimethylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-(4-methylcyclohexyl)propan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone
CID 157775153
(3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;2-[4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine
CID 157889894
[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-fluoro-3-hydroxypiperidin-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]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 158013856
[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3R,4R)-3-hydroxy-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]-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(3S,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]methanone
CID 158437094
[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(6-hydroxy-3-azabicyclo[3.1.0]hexan-3-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(2R,6R)-4-hydroxy-2,6-dimethylpiperidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-hydroxy-2,6-dimethylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[(2S,6S)-2,4,6-trimethylpiperidin-1-yl]methanone
CID 158691571
1-[4-[5-(2-Tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-cyclohexylpropan-2-one;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4,4-dimethylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-3-(4-methylcyclohexyl)propan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-4-methylpentan-2-one;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-5-pyrrolidin-1-ylpentan-2-one
CID 159455953

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylpyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylpyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpyrrolidin-1-yl)methanone (CID 157436962) is (3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylpyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylpyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylpyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpyrrolidin-1-yl)methanone is CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CC(C(C)(C)C)C4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC4C(C)(C)O)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCCC4CO)cc3Cl)c2)ccn1.CC1(C)CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC1(C)CN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.
What is the InChIKey of (3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylpyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is BRFJRYOOLIQESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O.C27H30ClN3O2.C27H30ClN3O.C26H28ClN3O2.2C26H28ClN3O/c1-27(2,3)22-16-32(17-22)26(33)19-7-8-23(24(29)12-19)21-11-20(14-30-15-21)18-9-10-31-25(13-18)28(4,5)6;1-26(2,3)23-14-17(8-10-30-23)19-12-20(16-29-15-19)21-7-6-18(13-22(21)28)25(32)31-11-9-24(31)27(4,5)33;1-26(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)31-11-9-27(4,5)17-31;1-26(2,3)24-13-17(8-9-29-24)19-11-20(15-28-14-19)22-7-6-18(12-23(22)27)25(32)30-10-4-5-21(30)16-31;1-25(2,3)23-12-17(8-9-29-23)19-10-20(14-28-13-19)21-7-6-18(11-22(21)27)24(31)30-15-26(4,5)16-30;1-17-8-10-30(16-17)25(31)19-5-6-22(23(27)12-19)21-11-20(14-28-15-21)18-7-9-29-24(13-18)26(2,3)4/h7-15,22H,16-17H2,1-6H3;6-8,10,12-16,24,33H,9,11H2,1-5H3;6-8,10,12-16H,9,11,17H2,1-5H3;6-9,11-15,21,31H,4-5,10,16H2,1-3H3;6-14H,15-16H2,1-5H3;5-7,9,11-15,17H,8,10,16H2,1-4H3.
What are the key properties of (3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylpyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpyrrolidin-1-yl)methanone?
(3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylpyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 2692.00 g/mol, XLogP of 37.11, 20 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylazetidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylazetidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3,3-dimethylpyrrolidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 157436962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).