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

C146H166Cl3N17O6S2 — CID 160672268

IUPAC2-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
SMILESCC(C)(C)CNC(=O)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)cc1.CC(C)NS(=O)(=O)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)cc1.CC1CCN(S(=O)(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)cc2)CC1.CNc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CNc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.Cc1cc(-c2ccnc(C(C)(C)C)c2)cc(-c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)c1
InChIInChI=1S/C29H33ClN2O.C26H31N3O2S.C26H31N3O.C23H27N3O2S.2C21H22ClN3/c1-19-9-12-32(13-10-19)28(33)22-6-7-25(26(30)17-22)24-15-20(2)14-23(16-24)21-8-11-31-27(18-21)29(3,4)5;1-19-10-13-29(14-11-19)32(30,31)24-7-5-20(6-8-24)22-15-23(18-27-17-22)21-9-12-28-25(16-21)26(2,3)4;1-25(2,3)17-29-24(30)19-9-7-18(8-10-19)21-13-22(16-27-15-21)20-11-12-28-23(14-20)26(4,5)6;1-16(2)26-29(27,28)21-8-6-17(7-9-21)19-12-20(15-24-14-19)18-10-11-25-22(13-18)23(3,4)5;2*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/h6-8,11,14-19H,9-10,12-13H2,1-5H3;5-9,12,15-19H,10-11,13-14H2,1-4H3;7-16H,17H2,1-6H3,(H,29,30);6-16,26H,1-5H3;2*5-13,23H,1-4H3
InChIKeyRNBQCNVIWBUWMZ-UHFFFAOYSA-N
MW2425.54 g/mol
LogP35.36
Rot. Bonds22

About 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

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 (PubChem CID 160672268) has the molecular formula C146H166Cl3N17O6S2 and a molecular weight of 2425.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID160672268
Molecular FormulaC146H166Cl3N17O6S2
Molecular Weight2425.54 g/mol
Exact Mass2422.17
IUPAC Name2-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
SMILESCC(C)(C)CNC(=O)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)cc1.CC(C)NS(=O)(=O)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)cc1.CC1CCN(S(=O)(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)cc2)CC1.CNc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CNc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.Cc1cc(-c2ccnc(C(C)(C)C)c2)cc(-c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)c1
InChIInChI=1S/C29H33ClN2O.C26H31N3O2S.C26H31N3O.C23H27N3O2S.2C21H22ClN3/c1-19-9-12-32(13-10-19)28(33)22-6-7-25(26(30)17-22)24-15-20(2)14-23(16-24)21-8-11-31-27(18-21)29(3,4)5;1-19-10-13-29(14-11-19)32(30,31)24-7-5-20(6-8-24)22-15-23(18-27-17-22)21-9-12-28-25(16-21)26(2,3)4;1-25(2,3)17-29-24(30)19-9-7-18(8-10-19)21-13-22(16-27-15-21)20-11-12-28-23(14-20)26(4,5)6;1-16(2)26-29(27,28)21-8-6-17(7-9-21)19-12-20(15-24-14-19)18-10-11-25-22(13-18)23(3,4)5;2*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/h6-8,11,14-19H,9-10,12-13H2,1-5H3;5-9,12,15-19H,10-11,13-14H2,1-4H3;7-16H,17H2,1-6H3,(H,29,30);6-16,26H,1-5H3;2*5-13,23H,1-4H3
InChIKeyRNBQCNVIWBUWMZ-UHFFFAOYSA-N
XLogP35.36
TPSA298.81 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002425.54
LogP ≤ 535.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)CNC(=O)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)cc1.CC(C)NS(=O)(=O)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)cc1.CC1CCN(S(=O)(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)cc2)CC1.CNc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CNc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.Cc1cc(-c2ccnc(C(C)(C)C)c2)cc(-c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)c1.
What is the InChIKey of 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?
The InChIKey is RNBQCNVIWBUWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN2O.C26H31N3O2S.C26H31N3O.C23H27N3O2S.2C21H22ClN3/c1-19-9-12-32(13-10-19)28(33)22-6-7-25(26(30)17-22)24-15-20(2)14-23(16-24)21-8-11-31-27(18-21)29(3,4)5;1-19-10-13-29(14-11-19)32(30,31)24-7-5-20(6-8-24)22-15-23(18-27-17-22)21-9-12-28-25(16-21)26(2,3)4;1-25(2,3)17-29-24(30)19-9-7-18(8-10-19)21-13-22(16-27-15-21)20-11-12-28-23(14-20)26(4,5)6;1-16(2)26-29(27,28)21-8-6-17(7-9-21)19-12-20(15-24-14-19)18-10-11-25-22(13-18)23(3,4)5;2*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/h6-8,11,14-19H,9-10,12-13H2,1-5H3;5-9,12,15-19H,10-11,13-14H2,1-4H3;7-16H,17H2,1-6H3,(H,29,30);6-16,26H,1-5H3;2*5-13,23H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2425.54 g/mol, XLogP of 35.36, 22 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160672268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).