[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

C26H20Cl3N3O5 — CID 23769506

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate (PubChem CID 23769506) has the molecular formula C26H20Cl3N3O5 and a molecular weight of 560.82 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.

Molecular Properties

• Compound Name: [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
• PubChem CID: 23769506
• Molecular Formula: C26H20Cl3N3O5
• Molecular Weight: 560.82 g/mol
• Exact Mass: 559.05
• IUPAC Name: [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
• SMILES: COc1ccc2c(c1)c(CC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl)c(C)n2C(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C26H20Cl3N3O5/c1-14-19(11-24(34)37-13-23(33)31-25-21(29)9-17(28)12-30-25)20-10-18(36-2)7-8-22(20)32(14)26(35)15-3-5-16(27)6-4-15/h3-10,12H,11,13H2,1-2H3,(H,30,31,33)
• InChIKey: DTQYASYJRUOSEJ-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 99.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.82
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?

The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate (CID 23769506) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.

What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?

The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate is COc1ccc2c(c1)c(CC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl)c(C)n2C(=O)c1ccc(Cl)cc1.

What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?

The InChIKey is DTQYASYJRUOSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl3N3O5/c1-14-19(11-24(34)37-13-23(33)31-25-21(29)9-17(28)12-30-25)20-10-18(36-2)7-8-22(20)32(14)26(35)15-3-5-16(27)6-4-15/h3-10,12H,11,13H2,1-2H3,(H,30,31,33).

What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate has a molecular weight of 560.82 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate is sourced from PubChem (CID 23769506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).