2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide

C25H21ClFN3O4 — CID 53482570

About 2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide

2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide (PubChem CID 53482570) has the molecular formula C25H21ClFN3O4 and a molecular weight of 481.91 g/mol. Its IUPAC name is 2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
• PubChem CID: 53482570
• Molecular Formula: C25H21ClFN3O4
• Molecular Weight: 481.91 g/mol
• Exact Mass: 481.12
• IUPAC Name: 2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
• SMILES: COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(OC)c1)c(C)n2Cc1ccc(Cl)cc1F
• InChI: InChI=1S/C25H21ClFN3O4/c1-14-23(24(31)25(32)29-17-8-9-28-22(11-17)34-3)19-12-18(33-2)6-7-21(19)30(14)13-15-4-5-16(26)10-20(15)27/h4-12H,13H2,1-3H3,(H,28,29,32)
• InChIKey: IRHYCVGXCXREII-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.91
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?

The IUPAC name of 2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide (CID 53482570) is 2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide.

What is the SMILES notation for 2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?

The canonical SMILES for 2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide is COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(OC)c1)c(C)n2Cc1ccc(Cl)cc1F.

What is the InChIKey of 2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?

The InChIKey is IRHYCVGXCXREII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O4/c1-14-23(24(31)25(32)29-17-8-9-28-22(11-17)34-3)19-12-18(33-2)6-7-21(19)30(14)13-15-4-5-16(26)10-20(15)27/h4-12H,13H2,1-3H3,(H,28,29,32).

What are the key properties of 2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?

2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide has a molecular weight of 481.91 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 53482570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).