1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-(2-methoxyethyl)triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one

C139H146N20O18 — CID 158226851

About 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-(2-methoxyethyl)triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one

1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-(2-methoxyethyl)triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 158226851) has the molecular formula C139H146N20O18 and a molecular weight of 2384.82 g/mol. Its IUPAC name is 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-(2-methoxyethyl)triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-(2-methoxyethyl)triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
• PubChem CID: 158226851
• Molecular Formula: C139H146N20O18
• Molecular Weight: 2384.82 g/mol
• Exact Mass: 2383.11
• IUPAC Name: 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-(2-methoxyethyl)triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
• SMILES: CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(N)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(N)cc3)ncc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(O)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(O)cc3)ncc2[nH]1.CC(C)(C)C(=O)c1cn2cc(CC(=O)c3ccc(N)cc3)ccc2n1.CC(C)(C)C(=O)c1cn2cc(CC(=O)c3ccc(O)cc3)ccc2n1.COCCn1cc(C(=O)Cc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)nn1
• InChI: InChI=1S/3C20H21N3O2.3C20H20N2O3.C19H23N5O3/c1-20(2,3)19(25)16-12-23-11-13(4-9-18(23)22-16)10-17(24)14-5-7-15(21)8-6-14;1-20(2,3)18(25)16-10-14-8-12(11-22-19(14)23-16)9-17(24)13-4-6-15(21)7-5-13;1-20(2,3)19(25)16-9-13-8-15(22-11-17(13)23-16)10-18(24)12-4-6-14(21)7-5-12;1-20(2,3)19(25)16-12-22-11-13(4-9-18(22)21-16)10-17(24)14-5-7-15(23)8-6-14;1-20(2,3)18(25)16-10-14-8-12(11-21-19(14)22-16)9-17(24)13-4-6-15(23)7-5-13;1-20(2,3)19(25)16-9-13-8-14(21-11-17(13)22-16)10-18(24)12-4-6-15(23)7-5-12;1-19(2,3)17(26)14-9-13-7-12(10-20-18(13)21-14)8-16(25)15-11-24(23-22-15)5-6-27-4/h4-9,11-12H,10,21H2,1-3H3;4-8,10-11H,9,21H2,1-3H3,(H,22,23);4-9,11,23H,10,21H2,1-3H3;4-9,11-12,23H,10H2,1-3H3;4-8,10-11,23H,9H2,1-3H3,(H,21,22);4-9,11,22-23H,10H2,1-3H3;7,9-11H,5-6,8H2,1-4H3,(H,20,21)
• InChIKey: GDWZPQKPWYZARJ-UHFFFAOYSA-N
• XLogP: 25.16
• TPSA: 595.67 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2384.82
LogP ≤ 5	25.16
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-(2-methoxyethyl)triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?

The IUPAC name of 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-(2-methoxyethyl)triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one (CID 158226851) is 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-(2-methoxyethyl)triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one.

What is the SMILES notation for 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-(2-methoxyethyl)triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?

The canonical SMILES for 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-(2-methoxyethyl)triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(N)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(N)cc3)ncc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(O)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(O)cc3)ncc2[nH]1.CC(C)(C)C(=O)c1cn2cc(CC(=O)c3ccc(N)cc3)ccc2n1.CC(C)(C)C(=O)c1cn2cc(CC(=O)c3ccc(O)cc3)ccc2n1.COCCn1cc(C(=O)Cc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)nn1.

What is the InChIKey of 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-(2-methoxyethyl)triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?

The InChIKey is GDWZPQKPWYZARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H21N3O2.3C20H20N2O3.C19H23N5O3/c1-20(2,3)19(25)16-12-23-11-13(4-9-18(23)22-16)10-17(24)14-5-7-15(21)8-6-14;1-20(2,3)18(25)16-10-14-8-12(11-22-19(14)23-16)9-17(24)13-4-6-15(21)7-5-13;1-20(2,3)19(25)16-9-13-8-15(22-11-17(13)23-16)10-18(24)12-4-6-14(21)7-5-12;1-20(2,3)19(25)16-12-22-11-13(4-9-18(22)21-16)10-17(24)14-5-7-15(23)8-6-14;1-20(2,3)18(25)16-10-14-8-12(11-21-19(14)22-16)9-17(24)13-4-6-15(23)7-5-13;1-20(2,3)19(25)16-9-13-8-14(21-11-17(13)22-16)10-18(24)12-4-6-15(23)7-5-12;1-19(2,3)17(26)14-9-13-7-12(10-20-18(13)21-14)8-16(25)15-11-24(23-22-15)5-6-27-4/h4-9,11-12H,10,21H2,1-3H3;4-8,10-11H,9,21H2,1-3H3,(H,22,23);4-9,11,23H,10,21H2,1-3H3;4-9,11-12,23H,10H2,1-3H3;4-8,10-11,23H,9H2,1-3H3,(H,21,22);4-9,11,22-23H,10H2,1-3H3;7,9-11H,5-6,8H2,1-4H3,(H,20,21).

What are the key properties of 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-(2-methoxyethyl)triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one?

1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-(2-methoxyethyl)triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 2384.82 g/mol, XLogP of 25.16, 31 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-(2-methoxyethyl)triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 158226851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).