bis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C173H183Cl7F3N17O8S — CID 161377367

IUPACbis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC(C)(C)c1cc(-c2cccc(-c3ccc(C(=O)NS(=O)(=O)C4CC4)cc3Cl)c2)ccn1.CC1(O)CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)CO)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cccc(-c4ccnc(C(C)(C)C)c4)c3F)c(Cl)c2)CC1.CNc1ccc(-c2cccc(-c3ccnc(C(C)(C)C)c3)c2F)c(Cl)c1.CNc1ccc(-c2cccc(-c3ccnc(C(C)(C)C)c3)c2F)c(Cl)c1.CNc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.Cc1c(-c2ccnc(C(C)(C)C)c2)cncc1-c1ccc(C(=O)N2CCC(C)CC2)cc1Cl
InChIInChI=1S/C28H30ClFN2O.C28H32ClN3O.C27H30ClN3O3.C25H25ClN2O3S.2C22H22ClFN2.C21H22ClN3/c1-18-11-14-32(15-12-18)27(33)20-8-9-22(24(29)16-20)23-7-5-6-21(26(23)30)19-10-13-31-25(17-19)28(2,3)4;1-18-9-12-32(13-10-18)27(33)21-6-7-22(25(29)14-21)24-17-30-16-23(19(24)2)20-8-11-31-26(15-20)28(3,4)5;1-26(2,17-32)24-14-18(6-9-30-24)20-12-21(16-29-15-20)22-5-4-19(13-23(22)28)25(33)31-10-7-27(3,34)8-11-31;1-25(2,3)23-15-17(11-12-27-23)16-5-4-6-18(13-16)21-10-7-19(14-22(21)26)24(29)28-32(30,31)20-8-9-20;2*1-22(2,3)20-12-14(10-11-26-20)16-6-5-7-18(21(16)24)17-9-8-15(25-4)13-19(17)23;1-21(2,3)20-10-14(7-8-25-20)15-9-16(13-24-12-15)18-6-5-17(23-4)11-19(18)22/h5-10,13,16-18H,11-12,14-15H2,1-4H3;6-8,11,14-18H,9-10,12-13H2,1-5H3;4-6,9,12-16,32,34H,7-8,10-11,17H2,1-3H3;4-7,10-15,20H,8-9H2,1-3H3,(H,28,29);2*5-13,25H,1-4H3;5-13,23H,1-4H3
InChIKeyVRGDBNWAZBNTFF-UHFFFAOYSA-N
MW2965.71 g/mol
LogP43.53
Rot. Bonds25

About bis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone

bis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 161377367) has the molecular formula C173H183Cl7F3N17O8S and a molecular weight of 2965.71 g/mol. Its IUPAC name is bis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namebis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID161377367
Molecular FormulaC173H183Cl7F3N17O8S
Molecular Weight2965.71 g/mol
Exact Mass2960.19
IUPAC Namebis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC(C)(C)c1cc(-c2cccc(-c3ccc(C(=O)NS(=O)(=O)C4CC4)cc3Cl)c2)ccn1.CC1(O)CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)CO)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cccc(-c4ccnc(C(C)(C)C)c4)c3F)c(Cl)c2)CC1.CNc1ccc(-c2cccc(-c3ccnc(C(C)(C)C)c3)c2F)c(Cl)c1.CNc1ccc(-c2cccc(-c3ccnc(C(C)(C)C)c3)c2F)c(Cl)c1.CNc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.Cc1c(-c2ccnc(C(C)(C)C)c2)cncc1-c1ccc(C(=O)N2CCC(C)CC2)cc1Cl
InChIInChI=1S/C28H30ClFN2O.C28H32ClN3O.C27H30ClN3O3.C25H25ClN2O3S.2C22H22ClFN2.C21H22ClN3/c1-18-11-14-32(15-12-18)27(33)20-8-9-22(24(29)16-20)23-7-5-6-21(26(23)30)19-10-13-31-25(17-19)28(2,3)4;1-18-9-12-32(13-10-18)27(33)21-6-7-22(25(29)14-21)24-17-30-16-23(19(24)2)20-8-11-31-26(15-20)28(3,4)5;1-26(2,17-32)24-14-18(6-9-30-24)20-12-21(16-29-15-20)22-5-4-19(13-23(22)28)25(33)31-10-7-27(3,34)8-11-31;1-25(2,3)23-15-17(11-12-27-23)16-5-4-6-18(13-16)21-10-7-19(14-22(21)26)24(29)28-32(30,31)20-8-9-20;2*1-22(2,3)20-12-14(10-11-26-20)16-6-5-7-18(21(16)24)17-9-8-15(25-4)13-19(17)23;1-21(2,3)20-10-14(7-8-25-20)15-9-16(13-24-12-15)18-6-5-17(23-4)11-19(18)22/h5-10,13,16-18H,11-12,14-15H2,1-4H3;6-8,11,14-18H,9-10,12-13H2,1-5H3;4-6,9,12-16,32,34H,7-8,10-11,17H2,1-3H3;4-7,10-15,20H,8-9H2,1-3H3,(H,28,29);2*5-13,25H,1-4H3;5-13,23H,1-4H3
InChIKeyVRGDBNWAZBNTFF-UHFFFAOYSA-N
XLogP43.53
TPSA329.62 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002965.71
LogP ≤ 543.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze bis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;tris(4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline);4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-N-cyclopropylsulfonylbenzamide;bis(methyl 4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoate)
CID 157718626
2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methyl-N-propan-2-ylbenzenesulfonamide;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxetan-3-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 159981427
2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]-(4-methylpiperidin-1-yl)methanone;bis(4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methyl-N-propan-2-ylbenzenesulfonamide);[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxetan-3-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 161057487
4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-methylaniline;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-cyclopropylsulfonylbenzamide;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;bis(methyl 4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoate)
CID 161117318
[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;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;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone
CID 157049809
2-tert-butyl-4-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[3-(2-tert-butyl-4-pyridinyl)-5-(dimethylamino)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(2,2-dimethylpropyl)benzamide;bis(4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline);4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-N-propan-2-ylbenzenesulfonamide
CID 157207598
bis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 157941749
2-[4-[3-(2-Tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;3-(2-chloro-4-methylphenyl)-5-(2-cyclopropyl-4-pyridinyl)pyridine;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 158671116
3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]benzonitrile;[4-[3-(2-tert-butyl-4-pyridinyl)-5-(dimethylamino)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-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;bis(4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline);[3-chloro-4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 158930173
2-tert-butyl-4-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[3-(2-tert-butyl-4-pyridinyl)-5-methylphenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis(4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline);4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-N-(2,2-dimethylpropyl)benzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-N-propan-2-ylbenzenesulfonamide
CID 160672268
[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone);[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-(propan-2-ylsulfamoyl)aniline;[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 162257097
4-[5-(2-tert-butyl-4-pyridinyl)-1-[2-[4-[5-[2-chloro-4-(methanesulfonamido)phenyl]-3-pyridinyl]-2-pyridinyl]propan-2-yloxy]pyridin-1-ium-3-yl]-3-chloro-N,N-bis(3-hydroxypropyl)benzamide
CID 170099184

Frequently Asked Questions

What is the IUPAC name of bis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of bis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 161377367) is bis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for bis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for bis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CC(C)(C)c1cc(-c2cccc(-c3ccc(C(=O)NS(=O)(=O)C4CC4)cc3Cl)c2)ccn1.CC1(O)CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)CO)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cccc(-c4ccnc(C(C)(C)C)c4)c3F)c(Cl)c2)CC1.CNc1ccc(-c2cccc(-c3ccnc(C(C)(C)C)c3)c2F)c(Cl)c1.CNc1ccc(-c2cccc(-c3ccnc(C(C)(C)C)c3)c2F)c(Cl)c1.CNc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.Cc1c(-c2ccnc(C(C)(C)C)c2)cncc1-c1ccc(C(=O)N2CCC(C)CC2)cc1Cl.
What is the InChIKey of bis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is VRGDBNWAZBNTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClFN2O.C28H32ClN3O.C27H30ClN3O3.C25H25ClN2O3S.2C22H22ClFN2.C21H22ClN3/c1-18-11-14-32(15-12-18)27(33)20-8-9-22(24(29)16-20)23-7-5-6-21(26(23)30)19-10-13-31-25(17-19)28(2,3)4;1-18-9-12-32(13-10-18)27(33)21-6-7-22(25(29)14-21)24-17-30-16-23(19(24)2)20-8-11-31-26(15-20)28(3,4)5;1-26(2,17-32)24-14-18(6-9-30-24)20-12-21(16-29-15-20)22-5-4-19(13-23(22)28)25(33)31-10-7-27(3,34)8-11-31;1-25(2,3)23-15-17(11-12-27-23)16-5-4-6-18(13-16)21-10-7-19(14-22(21)26)24(29)28-32(30,31)20-8-9-20;2*1-22(2,3)20-12-14(10-11-26-20)16-6-5-7-18(21(16)24)17-9-8-15(25-4)13-19(17)23;1-21(2,3)20-10-14(7-8-25-20)15-9-16(13-24-12-15)18-6-5-17(23-4)11-19(18)22/h5-10,13,16-18H,11-12,14-15H2,1-4H3;6-8,11,14-18H,9-10,12-13H2,1-5H3;4-6,9,12-16,32,34H,7-8,10-11,17H2,1-3H3;4-7,10-15,20H,8-9H2,1-3H3,(H,28,29);2*5-13,25H,1-4H3;5-13,23H,1-4H3.
What are the key properties of bis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
bis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 2965.71 g/mol, XLogP of 43.53, 25 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chloro-N-methylaniline);[4-[3-(2-tert-butyl-4-pyridinyl)-2-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chloro-N-cyclopropylsulfonylbenzamide;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline;[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 161377367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).