6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide;6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,4-trimethylpyridine-3-carboxamide;bis(N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide);N,N,2-trimethyl-6-[4-[[1-[3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;N,N,4-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide

C177H226Cl2F18N24O20 — CID 160964630

About 6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide;6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,4-trimethylpyridine-3-carboxamide;bis(N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide);N,N,2-trimethyl-6-[4-[[1-[3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;N,N,4-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide

6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide;6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,4-trimethylpyridine-3-carboxamide;bis(N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide);N,N,2-trimethyl-6-[4-[[1-[3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;N,N,4-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 160964630) has the molecular formula C177H226Cl2F18N24O20 and a molecular weight of 3422.77 g/mol. Its IUPAC name is 6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide;6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,4-trimethylpyridine-3-carboxamide;bis(N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide);N,N,2-trimethyl-6-[4-[[1-[3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;N,N,4-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide;6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,4-trimethylpyridine-3-carboxamide;bis(N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide);N,N,2-trimethyl-6-[4-[[1-[3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;N,N,4-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 160964630
• Molecular Formula: C177H226Cl2F18N24O20
• Molecular Weight: 3422.77 g/mol
• Exact Mass: 3419.65
• IUPAC Name: 6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide;6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,4-trimethylpyridine-3-carboxamide;bis(N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide);N,N,2-trimethyl-6-[4-[[1-[3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;N,N,4-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
• SMILES: COc1cccc([C@@](O)(C(=O)N2CCC(CC3CCN(c4ccc(C(=O)N(C)C)c(C)n4)CC3)CC2)C(F)(F)F)c1.COc1cccc([C@@](O)(C(=O)N2CCC(CC3CCN(c4ccc(C(=O)N(C)C)c(C)n4)CC3)CC2)C(F)(F)F)c1.Cc1cc(N2CCC(CC3CCN(C(=O)C(O)(c4cccc(Cl)c4)C(F)(F)F)CC3)CC2)ncc1C(=O)N(C)C.Cc1cc(N2CCC(CC3CCN(C(=O)[C@](O)(c4ccccc4)C(F)(F)F)CC3)CC2)ncc1C(=O)N(C)C.Cc1cccc(C(O)(C(=O)N2CCC(CC3CCN(c4ccc(C(=O)N(C)C)c(C)n4)CC3)CC2)C(F)(F)F)c1.Cc1nc(N2CCC(CC3CCN(C(=O)C(O)(c4cccc(Cl)c4)C(F)(F)F)CC3)CC2)ccc1C(=O)N(C)C
• InChI: InChI=1S/2C30H39F3N4O4.C30H39F3N4O3.2C29H36ClF3N4O3.C29H37F3N4O3/c2*1-20-25(27(38)35(2)3)8-9-26(34-20)36-14-10-21(11-15-36)18-22-12-16-37(17-13-22)28(39)29(40,30(31,32)33)23-6-5-7-24(19-23)41-4;1-20-6-5-7-24(18-20)29(40,30(31,32)33)28(39)37-16-12-23(13-17-37)19-22-10-14-36(15-11-22)26-9-8-25(21(2)34-26)27(38)35(3)4;1-19-15-25(34-18-24(19)26(38)35(2)3)36-11-7-20(8-12-36)16-21-9-13-37(14-10-21)27(39)28(40,29(31,32)33)22-5-4-6-23(30)17-22;1-19-24(26(38)35(2)3)7-8-25(34-19)36-13-9-20(10-14-36)17-21-11-15-37(16-12-21)27(39)28(40,29(31,32)33)22-5-4-6-23(30)18-22;1-20-17-25(33-19-24(20)26(37)34(2)3)35-13-9-21(10-14-35)18-22-11-15-36(16-12-22)27(38)28(39,29(30,31)32)23-7-5-4-6-8-23/h2*5-9,19,21-22,40H,10-18H2,1-4H3;5-9,18,22-23,40H,10-17,19H2,1-4H3;4-6,15,17-18,20-21,40H,7-14,16H2,1-3H3;4-8,18,20-21,40H,9-17H2,1-3H3;4-8,17,19,21-22,39H,9-16,18H2,1-3H3/t2*29-;;;;28-/m11...1/s1
• InChIKey: SXLKACXOWJENCM-ZRHFNBLHSA-N
• XLogP: 27.95
• TPSA: 480.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 38
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3422.77
LogP ≤ 5	27.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide;6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,4-trimethylpyridine-3-carboxamide;bis(N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide);N,N,2-trimethyl-6-[4-[[1-[3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;N,N,4-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide;6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,4-trimethylpyridine-3-carboxamide;bis(N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide);N,N,2-trimethyl-6-[4-[[1-[3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;N,N,4-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 160964630) is 6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide;6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,4-trimethylpyridine-3-carboxamide;bis(N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide);N,N,2-trimethyl-6-[4-[[1-[3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;N,N,4-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide;6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,4-trimethylpyridine-3-carboxamide;bis(N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide);N,N,2-trimethyl-6-[4-[[1-[3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;N,N,4-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide;6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,4-trimethylpyridine-3-carboxamide;bis(N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide);N,N,2-trimethyl-6-[4-[[1-[3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;N,N,4-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide is COc1cccc([C@@](O)(C(=O)N2CCC(CC3CCN(c4ccc(C(=O)N(C)C)c(C)n4)CC3)CC2)C(F)(F)F)c1.COc1cccc([C@@](O)(C(=O)N2CCC(CC3CCN(c4ccc(C(=O)N(C)C)c(C)n4)CC3)CC2)C(F)(F)F)c1.Cc1cc(N2CCC(CC3CCN(C(=O)C(O)(c4cccc(Cl)c4)C(F)(F)F)CC3)CC2)ncc1C(=O)N(C)C.Cc1cc(N2CCC(CC3CCN(C(=O)[C@](O)(c4ccccc4)C(F)(F)F)CC3)CC2)ncc1C(=O)N(C)C.Cc1cccc(C(O)(C(=O)N2CCC(CC3CCN(c4ccc(C(=O)N(C)C)c(C)n4)CC3)CC2)C(F)(F)F)c1.Cc1nc(N2CCC(CC3CCN(C(=O)C(O)(c4cccc(Cl)c4)C(F)(F)F)CC3)CC2)ccc1C(=O)N(C)C.

What is the InChIKey of 6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide;6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,4-trimethylpyridine-3-carboxamide;bis(N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide);N,N,2-trimethyl-6-[4-[[1-[3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;N,N,4-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?

The InChIKey is SXLKACXOWJENCM-ZRHFNBLHSA-N. The full InChI is InChI=1S/2C30H39F3N4O4.C30H39F3N4O3.2C29H36ClF3N4O3.C29H37F3N4O3/c2*1-20-25(27(38)35(2)3)8-9-26(34-20)36-14-10-21(11-15-36)18-22-12-16-37(17-13-22)28(39)29(40,30(31,32)33)23-6-5-7-24(19-23)41-4;1-20-6-5-7-24(18-20)29(40,30(31,32)33)28(39)37-16-12-23(13-17-37)19-22-10-14-36(15-11-22)26-9-8-25(21(2)34-26)27(38)35(3)4;1-19-15-25(34-18-24(19)26(38)35(2)3)36-11-7-20(8-12-36)16-21-9-13-37(14-10-21)27(39)28(40,29(31,32)33)22-5-4-6-23(30)17-22;1-19-24(26(38)35(2)3)7-8-25(34-19)36-13-9-20(10-14-36)17-21-11-15-37(16-12-21)27(39)28(40,29(31,32)33)22-5-4-6-23(30)18-22;1-20-17-25(33-19-24(20)26(37)34(2)3)35-13-9-21(10-14-35)18-22-11-15-36(16-12-22)27(38)28(39,29(30,31)32)23-7-5-4-6-8-23/h2*5-9,19,21-22,40H,10-18H2,1-4H3;5-9,18,22-23,40H,10-17,19H2,1-4H3;4-6,15,17-18,20-21,40H,7-14,16H2,1-3H3;4-8,18,20-21,40H,9-17H2,1-3H3;4-8,17,19,21-22,39H,9-16,18H2,1-3H3/t2*29-;;;;28-/m11...1/s1.

What are the key properties of 6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide;6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,4-trimethylpyridine-3-carboxamide;bis(N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide);N,N,2-trimethyl-6-[4-[[1-[3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;N,N,4-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?

6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide;6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,4-trimethylpyridine-3-carboxamide;bis(N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide);N,N,2-trimethyl-6-[4-[[1-[3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;N,N,4-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 3422.77 g/mol, XLogP of 27.95, 38 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,2-trimethylpyridine-3-carboxamide;6-[4-[[1-[2-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N,4-trimethylpyridine-3-carboxamide;bis(N,N,2-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide);N,N,2-trimethyl-6-[4-[[1-[3,3,3-trifluoro-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide;N,N,4-trimethyl-6-[4-[[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 160964630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).