[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

C163H178Cl6N18O11 — CID 158691571

About [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

[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 (PubChem CID 158691571) has the molecular formula C163H178Cl6N18O11 and a molecular weight of 2778.05 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 158691571
• Molecular Formula: C163H178Cl6N18O11
• Molecular Weight: 2778.05 g/mol
• Exact Mass: 2773.21
• IUPAC Name: [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
• SMILES: CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CC(O)C(O)C4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CC5C(O)C5C4)cc3Cl)c2)ccn1.CC1CC(O)CC(C)N1C(=O)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC1C[C@H](C)N(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)[C@@H](C)C1.CC1[C@H]2CN(C(=O)c3ccc(-c4cncc(-c5ccnc(C(C)(C)C)c5)c4)c(Cl)c3)C[C@@H]12.C[C@@H]1CC(O)C[C@@H](C)N1C(=O)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1
• InChI: InChI=1S/C29H34ClN3O.2C28H32ClN3O2.C27H28ClN3O.C26H26ClN3O2.C25H26ClN3O3/c1-18-11-19(2)33(20(3)12-18)28(34)22-7-8-25(26(30)14-22)24-13-23(16-31-17-24)21-9-10-32-27(15-21)29(4,5)6;2*1-17-10-23(33)11-18(2)32(17)27(34)20-6-7-24(25(29)13-20)22-12-21(15-30-16-22)19-8-9-31-26(14-19)28(3,4)5;1-16-22-14-31(15-23(16)22)26(32)18-5-6-21(24(28)10-18)20-9-19(12-29-13-20)17-7-8-30-25(11-17)27(2,3)4;1-26(2,3)23-10-15(6-7-29-23)17-8-18(12-28-11-17)19-5-4-16(9-22(19)27)25(32)30-13-20-21(14-30)24(20)31;1-25(2,3)23-10-15(6-7-28-23)17-8-18(12-27-11-17)19-5-4-16(9-20(19)26)24(32)29-13-21(30)22(31)14-29/h7-10,13-20H,11-12H2,1-6H3;2*6-9,12-18,23,33H,10-11H2,1-5H3;5-13,16,22-23H,14-15H2,1-4H3;4-12,20-21,24,31H,13-14H2,1-3H3;4-12,21-22,30-31H,13-14H2,1-3H3/t19-,20-;17-,18-;;16?,22-,23+;;/m01..../s1
• InChIKey: IGKJTIPPSGSJSJ-YPRHXTOGSA-N
• XLogP: 34.54
• TPSA: 377.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2778.05
LogP ≤ 5	34.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of [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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CC(O)C(O)C4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CC5C(O)C5C4)cc3Cl)c2)ccn1.CC1CC(O)CC(C)N1C(=O)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC1C[C@H](C)N(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)[C@@H](C)C1.CC1[C@H]2CN(C(=O)c3ccc(-c4cncc(-c5ccnc(C(C)(C)C)c5)c4)c(Cl)c3)C[C@@H]12.C[C@@H]1CC(O)C[C@@H](C)N1C(=O)c1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.

What is the InChIKey of [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?

The InChIKey is IGKJTIPPSGSJSJ-YPRHXTOGSA-N. The full InChI is InChI=1S/C29H34ClN3O.2C28H32ClN3O2.C27H28ClN3O.C26H26ClN3O2.C25H26ClN3O3/c1-18-11-19(2)33(20(3)12-18)28(34)22-7-8-25(26(30)14-22)24-13-23(16-31-17-24)21-9-10-32-27(15-21)29(4,5)6;2*1-17-10-23(33)11-18(2)32(17)27(34)20-6-7-24(25(29)13-20)22-12-21(15-30-16-22)19-8-9-31-26(14-19)28(3,4)5;1-16-22-14-31(15-23(16)22)26(32)18-5-6-21(24(28)10-18)20-9-19(12-29-13-20)17-7-8-30-25(11-17)27(2,3)4;1-26(2,3)23-10-15(6-7-29-23)17-8-18(12-28-11-17)19-5-4-16(9-22(19)27)25(32)30-13-20-21(14-30)24(20)31;1-25(2,3)23-10-15(6-7-28-23)17-8-18(12-27-11-17)19-5-4-16(9-20(19)26)24(32)29-13-21(30)22(31)14-29/h7-10,13-20H,11-12H2,1-6H3;2*6-9,12-18,23,33H,10-11H2,1-5H3;5-13,16,22-23H,14-15H2,1-4H3;4-12,20-21,24,31H,13-14H2,1-3H3;4-12,21-22,30-31H,13-14H2,1-3H3/t19-,20-;17-,18-;;16?,22-,23+;;/m01..../s1.

What are the key properties of [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?

[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 has a molecular weight of 2778.05 g/mol, XLogP of 34.54, 18 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [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 is sourced from PubChem (CID 158691571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).