[4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[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-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;tris([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)

C192H216Cl7N21O9 — CID 159483832

IUPAC[4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[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-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;tris([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)
SMILESCC1(C)CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.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.CC1CCCN(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.COc1ncc(-c2ccnc(C(C)(C)C)c2)cc1-c1ccc(C(=O)N2CCC(C)CC2)cc1Cl.Cc1ncc(-c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)cc1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C28H32ClN3O2.2C28H32ClN3O.C27H30ClN3O2.3C27H30ClN3O/c1-18-9-12-32(13-10-18)27(33)20-6-7-22(24(29)15-20)23-14-21(17-31-26(23)34-5)19-8-11-30-25(16-19)28(2,3)4;1-27(2,3)25-16-19(8-11-31-25)21-14-22(18-30-17-21)23-7-6-20(15-24(23)29)26(33)32-12-9-28(4,5)10-13-32;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;1-26(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;3*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/h6-8,11,14-18H,9-10,12-13H2,1-5H3;2*6-8,11,14-18H,9-10,12-13H2,1-5H3;6-8,10,12-16,33H,5,9,11,17H2,1-4H3;3*7-10,12-16,18H,5-6,11,17H2,1-4H3
InChIKeyLXIIIEPRHOSLQR-UHFFFAOYSA-N
MW3210.15 g/mol
LogP46.26
Rot. Bonds22

About [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[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-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;tris([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)

[4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[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-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;tris([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone) (PubChem CID 159483832) has the molecular formula C192H216Cl7N21O9 and a molecular weight of 3210.15 g/mol. Its IUPAC name is [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[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-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;tris([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone).

Molecular Properties

Compound Name[4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[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-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;tris([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)
PubChem CID159483832
Molecular FormulaC192H216Cl7N21O9
Molecular Weight3210.15 g/mol
Exact Mass3204.49
IUPAC Name[4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[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-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;tris([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)
SMILESCC1(C)CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.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.CC1CCCN(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.COc1ncc(-c2ccnc(C(C)(C)C)c2)cc1-c1ccc(C(=O)N2CCC(C)CC2)cc1Cl.Cc1ncc(-c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)cc1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C28H32ClN3O2.2C28H32ClN3O.C27H30ClN3O2.3C27H30ClN3O/c1-18-9-12-32(13-10-18)27(33)20-6-7-22(24(29)15-20)23-14-21(17-31-26(23)34-5)19-8-11-30-25(16-19)28(2,3)4;1-27(2,3)25-16-19(8-11-31-25)21-14-22(18-30-17-21)23-7-6-20(15-24(23)29)26(33)32-12-9-28(4,5)10-13-32;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;1-26(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;3*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/h6-8,11,14-18H,9-10,12-13H2,1-5H3;2*6-8,11,14-18H,9-10,12-13H2,1-5H3;6-8,10,12-16,33H,5,9,11,17H2,1-4H3;3*7-10,12-16,18H,5-6,11,17H2,1-4H3
InChIKeyLXIIIEPRHOSLQR-UHFFFAOYSA-N
XLogP46.26
TPSA352.09 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003210.15
LogP ≤ 546.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[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-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;tris([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone) with MolForge

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Launch Full Analysis

Related Compounds

[4-[5-[2-Tert-butyl-5-[1-[4-[5-[2-chloro-4-(4-hydroxypiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]ethoxy]-4-pyridinyl]-4-fluoro-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 156077591
2-chloro-4-[4-[[1-[(2R)-2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[4-[[1-[(2R)-3,3,4,4,4-pentafluoro-2-hydroxy-2-(3-methoxyphenyl)butanoyl]piperidin-4-yl]methyl]piperidin-1-yl]benzamide;2-chloro-N,N-dimethyl-4-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-hydroxyphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]benzamide;2-chloro-N,N-dimethyl-4-[4-[[1-(3,3,3-trifluoro-2-hydroxy-2-pyridin-3-ylpropanoyl)piperidin-4-yl]methyl]piperidin-1-yl]benzamide
CID 157553632
[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-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
N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methoxy-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(4-methyl-2-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(3-fluoro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 167553439
(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methoxy-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methyl-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide
CID 167665247
(3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide
CID 167699893
Methyl 4-[[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]methyl-[1-(4-chlorophenyl)cyclohexanecarbonyl]amino]methyl]benzoate
CID 121474112
4-[[[3,5-Bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]methyl-[1-(4-chlorophenyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 121474114
4-[[2-[2-[2-[[4-[[[3,5-Bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]methyl-[1-(4-chlorophenyl)cyclohexanecarbonyl]amino]methyl]benzoyl]amino]ethoxy]ethoxy]ethyl-[1-(4-chlorophenyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 121474115
[4-[5-(2-Tert-butyl-4-pyridinyl)-6-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 139350975

Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[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-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;tris([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)?
The IUPAC name of [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[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-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;tris([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone) (CID 159483832) is [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[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-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;tris([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone).
What is the SMILES notation for [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[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-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;tris([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)?
The canonical SMILES for [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[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-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;tris([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone) is CC1(C)CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.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.CC1CCCN(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.COc1ncc(-c2ccnc(C(C)(C)C)c2)cc1-c1ccc(C(=O)N2CCC(C)CC2)cc1Cl.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)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[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-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;tris([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)?
The InChIKey is LXIIIEPRHOSLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O2.2C28H32ClN3O.C27H30ClN3O2.3C27H30ClN3O/c1-18-9-12-32(13-10-18)27(33)20-6-7-22(24(29)15-20)23-14-21(17-31-26(23)34-5)19-8-11-30-25(16-19)28(2,3)4;1-27(2,3)25-16-19(8-11-31-25)21-14-22(18-30-17-21)23-7-6-20(15-24(23)29)26(33)32-12-9-28(4,5)10-13-32;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;1-26(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;3*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/h6-8,11,14-18H,9-10,12-13H2,1-5H3;2*6-8,11,14-18H,9-10,12-13H2,1-5H3;6-8,10,12-16,33H,5,9,11,17H2,1-4H3;3*7-10,12-16,18H,5-6,11,17H2,1-4H3.
What are the key properties of [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[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-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;tris([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)?
[4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[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-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;tris([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone) has a molecular weight of 3210.15 g/mol, XLogP of 46.26, 22 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[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-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;tris([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone) is sourced from PubChem (CID 159483832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).