3-[6-chloro-3-[1-[3,6-dimethyl-2-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

C₅₂H₄₀Cl₂N₁₀O₁₀ — CID 171549141

About 3-[6-chloro-3-[1-[3,6-dimethyl-2-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one

3-[6-chloro-3-[1-[3,6-dimethyl-2-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 171549141) has the molecular formula C₅₂H₄₀Cl₂N₁₀O₁₀ and a molecular weight of 1035.86 g/mol. Its IUPAC name is 3-[6-chloro-3-[1-[3,6-dimethyl-2-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

• Compound Name: 3-[6-chloro-3-[1-[3,6-dimethyl-2-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 171549141
• Molecular Formula: C₅₂H₄₀Cl₂N₁₀O₁₀
• Molecular Weight: 1035.86 g/mol
• Exact Mass: 1034.23
• IUPAC Name: 3-[6-chloro-3-[1-[3,6-dimethyl-2-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
• SMILES: Cc1cc(C(C)Oc2ccc(Cl)nc2-c2noc(=O)[nH]2)c2oc(-c3ccc4nc(C)cn4c3)c(C)c(=O)c2c1.Cc1cc(C(C)Oc2ccc(Cl)nc2-c2noc(=O)[nH]2)c2oc(-c3cnccn3)c(C)c(=O)c2c1
• InChI: InChI=1S/C28H22ClN5O5.C24H18ClN5O5/c1-13-9-18(16(4)37-20-6-7-21(29)31-23(20)27-32-28(36)39-33-27)26-19(10-13)24(35)15(3)25(38-26)17-5-8-22-30-14(2)11-34(22)12-17;1-11-8-14(13(3)33-17-4-5-18(25)28-19(17)23-29-24(32)35-30-23)22-15(9-11)20(31)12(2)21(34-22)16-10-26-6-7-27-16/h5-12,16H,1-4H3,(H,32,33,36);4-10,13H,1-3H3,(H,29,30,32)
• InChIKey: NJWDHWCUEZYRIT-UHFFFAOYSA-N
• XLogP: 9.96
• TPSA: 265.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1035.86
LogP ≤ 5	9.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-3-[1-[3,6-dimethyl-2-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?

The IUPAC name of 3-[6-chloro-3-[1-[3,6-dimethyl-2-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one (CID 171549141) is 3-[6-chloro-3-[1-[3,6-dimethyl-2-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one.

What is the SMILES notation for 3-[6-chloro-3-[1-[3,6-dimethyl-2-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?

The canonical SMILES for 3-[6-chloro-3-[1-[3,6-dimethyl-2-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is Cc1cc(C(C)Oc2ccc(Cl)nc2-c2noc(=O)[nH]2)c2oc(-c3ccc4nc(C)cn4c3)c(C)c(=O)c2c1.Cc1cc(C(C)Oc2ccc(Cl)nc2-c2noc(=O)[nH]2)c2oc(-c3cnccn3)c(C)c(=O)c2c1.

What is the InChIKey of 3-[6-chloro-3-[1-[3,6-dimethyl-2-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?

The InChIKey is NJWDHWCUEZYRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN5O5.C24H18ClN5O5/c1-13-9-18(16(4)37-20-6-7-21(29)31-23(20)27-32-28(36)39-33-27)26-19(10-13)24(35)15(3)25(38-26)17-5-8-22-30-14(2)11-34(22)12-17;1-11-8-14(13(3)33-17-4-5-18(25)28-19(17)23-29-24(32)35-30-23)22-15(9-11)20(31)12(2)21(34-22)16-10-26-6-7-27-16/h5-12,16H,1-4H3,(H,32,33,36);4-10,13H,1-3H3,(H,29,30,32).

What are the key properties of 3-[6-chloro-3-[1-[3,6-dimethyl-2-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one?

3-[6-chloro-3-[1-[3,6-dimethyl-2-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 1035.86 g/mol, XLogP of 9.96, 10 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-chloro-3-[1-[3,6-dimethyl-2-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxochromen-8-yl]ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;3-[6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-pyrazin-2-ylchromen-8-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 171549141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171549141 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.