(2-chloro-3-pyridinyl)-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methanone;3-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carbonyl]benzonitrile;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone;4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide

C155H145ClF24N20O10 — CID 160530576

About (2-chloro-3-pyridinyl)-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methanone;3-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carbonyl]benzonitrile;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone;4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide

(2-chloro-3-pyridinyl)-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methanone;3-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carbonyl]benzonitrile;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone;4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide (PubChem CID 160530576) has the molecular formula C155H145ClF24N20O10 and a molecular weight of 2939.40 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methanone;3-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carbonyl]benzonitrile;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone;4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide.

Molecular Properties

• Compound Name: (2-chloro-3-pyridinyl)-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methanone;3-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carbonyl]benzonitrile;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone;4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide
• PubChem CID: 160530576
• Molecular Formula: C155H145ClF24N20O10
• Molecular Weight: 2939.40 g/mol
• Exact Mass: 2937.08
• IUPAC Name: (2-chloro-3-pyridinyl)-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methanone;3-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carbonyl]benzonitrile;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone;4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3)cc2)cc1.N#Cc1cccc(C(=O)N2CCN(Cc3ccc(-c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)cc3)CC2)c1.NC(=O)c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3)cc2)cc1.O=C(c1ccccn1)N1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.O=C(c1cccnc1)N1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.O=C(c1cccnc1Cl)N1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1
• InChI: InChI=1S/C28H23F6N3O2.C26H22ClF6N3O2.2C26H23F6N3O2.C25H28N4O.C24H26N4O/c29-27(30,31)26(39,28(32,33)34)24-10-8-22(9-11-24)21-6-4-19(5-7-21)18-36-12-14-37(15-13-36)25(38)23-3-1-2-20(16-23)17-35;27-22-21(2-1-11-34-22)23(37)36-14-12-35(13-15-36)16-17-3-5-18(6-4-17)19-7-9-20(10-8-19)24(38,25(28,29)30)26(31,32)33;27-25(28,29)24(37,26(30,31)32)22-9-7-20(8-10-22)19-5-3-18(4-6-19)17-34-12-14-35(15-13-34)23(36)21-2-1-11-33-16-21;27-25(28,29)24(37,26(30,31)32)21-10-8-20(9-11-21)19-6-4-18(5-7-19)17-34-13-15-35(16-14-34)23(36)22-3-1-2-12-33-22;1-20(30)27-25-8-6-24(7-9-25)23-4-2-21(3-5-23)18-28-14-16-29(17-15-28)19-22-10-12-26-13-11-22;25-24(29)23-7-5-22(6-8-23)21-3-1-19(2-4-21)17-27-13-15-28(16-14-27)18-20-9-11-26-12-10-20/h1-11,16,39H,12-15,18H2;1-11,38H,12-16H2;1-11,16,37H,12-15,17H2;1-12,37H,13-17H2;2-13H,14-19H2,1H3,(H,27,30);1-12H,13-18H2,(H2,25,29)
• InChIKey: QVMCDQBHUCYTII-UHFFFAOYSA-N
• XLogP: 28.40
• TPSA: 348.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2939.40
LogP ≤ 5	28.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methanone;3-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carbonyl]benzonitrile;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone;4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide?

The IUPAC name of (2-chloro-3-pyridinyl)-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methanone;3-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carbonyl]benzonitrile;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone;4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide (CID 160530576) is (2-chloro-3-pyridinyl)-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methanone;3-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carbonyl]benzonitrile;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone;4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide.

What is the SMILES notation for (2-chloro-3-pyridinyl)-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methanone;3-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carbonyl]benzonitrile;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone;4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide?

The canonical SMILES for (2-chloro-3-pyridinyl)-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methanone;3-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carbonyl]benzonitrile;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone;4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3)cc2)cc1.N#Cc1cccc(C(=O)N2CCN(Cc3ccc(-c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)cc3)CC2)c1.NC(=O)c1ccc(-c2ccc(CN3CCN(Cc4ccncc4)CC3)cc2)cc1.O=C(c1ccccn1)N1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.O=C(c1cccnc1)N1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.O=C(c1cccnc1Cl)N1CCN(Cc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1.

What is the InChIKey of (2-chloro-3-pyridinyl)-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methanone;3-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carbonyl]benzonitrile;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone;4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide?

The InChIKey is QVMCDQBHUCYTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F6N3O2.C26H22ClF6N3O2.2C26H23F6N3O2.C25H28N4O.C24H26N4O/c29-27(30,31)26(39,28(32,33)34)24-10-8-22(9-11-24)21-6-4-19(5-7-21)18-36-12-14-37(15-13-36)25(38)23-3-1-2-20(16-23)17-35;27-22-21(2-1-11-34-22)23(37)36-14-12-35(13-15-36)16-17-3-5-18(6-4-17)19-7-9-20(10-8-19)24(38,25(28,29)30)26(31,32)33;27-25(28,29)24(37,26(30,31)32)22-9-7-20(8-10-22)19-5-3-18(4-6-19)17-34-12-14-35(15-13-34)23(36)21-2-1-11-33-16-21;27-25(28,29)24(37,26(30,31)32)21-10-8-20(9-11-21)19-6-4-18(5-7-19)17-34-13-15-35(16-14-34)23(36)22-3-1-2-12-33-22;1-20(30)27-25-8-6-24(7-9-25)23-4-2-21(3-5-23)18-28-14-16-29(17-15-28)19-22-10-12-26-13-11-22;25-24(29)23-7-5-22(6-8-23)21-3-1-19(2-4-21)17-27-13-15-28(16-14-27)18-20-9-11-26-12-10-20/h1-11,16,39H,12-15,18H2;1-11,38H,12-16H2;1-11,16,37H,12-15,17H2;1-12,37H,13-17H2;2-13H,14-19H2,1H3,(H,27,30);1-12H,13-18H2,(H2,25,29).

What are the key properties of (2-chloro-3-pyridinyl)-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methanone;3-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carbonyl]benzonitrile;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone;4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide?

(2-chloro-3-pyridinyl)-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methanone;3-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carbonyl]benzonitrile;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone;4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide has a molecular weight of 2939.40 g/mol, XLogP of 28.40, 32 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chloro-3-pyridinyl)-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methanone;3-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carbonyl]benzonitrile;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-pyridin-3-ylmethanone;4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 160530576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).