N-(2,3-dihydroxypropyl)-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetic acid

C78H91F9N18O10 — CID 159094306

About N-(2,3-dihydroxypropyl)-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetic acid

N-(2,3-dihydroxypropyl)-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetic acid (PubChem CID 159094306) has the molecular formula C78H91F9N18O10 and a molecular weight of 1611.68 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetic acid.

Molecular Properties

• Compound Name: N-(2,3-dihydroxypropyl)-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetic acid
• PubChem CID: 159094306
• Molecular Formula: C78H91F9N18O10
• Molecular Weight: 1611.68 g/mol
• Exact Mass: 1610.70
• IUPAC Name: N-(2,3-dihydroxypropyl)-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetic acid
• SMILES: CC1(C)OCC(CN)O1.CC1(C)OCC(CNC(=O)Cc2ccc(N3CCN(c4ccc(-c5ncc(C(F)(F)F)[nH]5)cn4)CC3)cc2)O1.O=C(Cc1ccc(N2CCN(c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)CC2)cc1)NCC(O)CO.O=C(O)Cc1ccc(N2CCN(c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)CC2)cc1
• InChI: InChI=1S/C27H31F3N6O3.C24H27F3N6O3.C21H20F3N5O2.C6H13NO2/c1-26(2)38-17-21(39-26)15-32-24(37)13-18-3-6-20(7-4-18)35-9-11-36(12-10-35)23-8-5-19(14-31-23)25-33-16-22(34-25)27(28,29)30;25-24(26,27)20-14-30-23(31-20)17-3-6-21(28-12-17)33-9-7-32(8-10-33)18-4-1-16(2-5-18)11-22(36)29-13-19(35)15-34;22-21(23,24)17-13-26-20(27-17)15-3-6-18(25-12-15)29-9-7-28(8-10-29)16-4-1-14(2-5-16)11-19(30)31;1-6(2)8-4-5(3-7)9-6/h3-8,14,16,21H,9-13,15,17H2,1-2H3,(H,32,37)(H,33,34);1-6,12,14,19,34-35H,7-11,13,15H2,(H,29,36)(H,30,31);1-6,12-13H,7-11H2,(H,26,27)(H,30,31);5H,3-4,7H2,1-2H3
• InChIKey: KCLRNTOBNORBER-UHFFFAOYSA-N
• XLogP: 9.00
• TPSA: 343.05 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1611.68
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetic acid?

The IUPAC name of N-(2,3-dihydroxypropyl)-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetic acid (CID 159094306) is N-(2,3-dihydroxypropyl)-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetic acid.

What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetic acid?

The canonical SMILES for N-(2,3-dihydroxypropyl)-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetic acid is CC1(C)OCC(CN)O1.CC1(C)OCC(CNC(=O)Cc2ccc(N3CCN(c4ccc(-c5ncc(C(F)(F)F)[nH]5)cn4)CC3)cc2)O1.O=C(Cc1ccc(N2CCN(c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)CC2)cc1)NCC(O)CO.O=C(O)Cc1ccc(N2CCN(c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)CC2)cc1.

What is the InChIKey of N-(2,3-dihydroxypropyl)-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetic acid?

The InChIKey is KCLRNTOBNORBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N6O3.C24H27F3N6O3.C21H20F3N5O2.C6H13NO2/c1-26(2)38-17-21(39-26)15-32-24(37)13-18-3-6-20(7-4-18)35-9-11-36(12-10-35)23-8-5-19(14-31-23)25-33-16-22(34-25)27(28,29)30;25-24(26,27)20-14-30-23(31-20)17-3-6-21(28-12-17)33-9-7-32(8-10-33)18-4-1-16(2-5-18)11-22(36)29-13-19(35)15-34;22-21(23,24)17-13-26-20(27-17)15-3-6-18(25-12-15)29-9-7-28(8-10-29)16-4-1-14(2-5-16)11-19(30)31;1-6(2)8-4-5(3-7)9-6/h3-8,14,16,21H,9-13,15,17H2,1-2H3,(H,32,37)(H,33,34);1-6,12,14,19,34-35H,7-11,13,15H2,(H,29,36)(H,30,31);1-6,12-13H,7-11H2,(H,26,27)(H,30,31);5H,3-4,7H2,1-2H3.

What are the key properties of N-(2,3-dihydroxypropyl)-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetic acid?

N-(2,3-dihydroxypropyl)-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetic acid has a molecular weight of 1611.68 g/mol, XLogP of 9.00, 21 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydroxypropyl)-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetamide;2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazin-1-yl]phenyl]acetic acid is sourced from PubChem (CID 159094306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).