2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide

C24H21ClN4O4 — CID 57387695

About 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide

2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide (PubChem CID 57387695) has the molecular formula C24H21ClN4O4 and a molecular weight of 464.91 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
• PubChem CID: 57387695
• Molecular Formula: C24H21ClN4O4
• Molecular Weight: 464.91 g/mol
• Exact Mass: 464.13
• IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
• SMILES: COc1cnc2c(c1)c(C(=O)C(=O)Nc1ccnc(OC)c1)c(C)n2Cc1ccc(Cl)cc1
• InChI: InChI=1S/C24H21ClN4O4/c1-14-21(22(30)24(31)28-17-8-9-26-20(10-17)33-3)19-11-18(32-2)12-27-23(19)29(14)13-15-4-6-16(25)7-5-15/h4-12H,13H2,1-3H3,(H,26,28,31)
• InChIKey: SKLCFWVUFOYRCF-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 95.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.91
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?

The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide (CID 57387695) is 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide.

What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?

The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide is COc1cnc2c(c1)c(C(=O)C(=O)Nc1ccnc(OC)c1)c(C)n2Cc1ccc(Cl)cc1.

What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?

The InChIKey is SKLCFWVUFOYRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4/c1-14-21(22(30)24(31)28-17-8-9-26-20(10-17)33-3)19-11-18(32-2)12-27-23(19)29(14)13-15-4-6-16(25)7-5-15/h4-12H,13H2,1-3H3,(H,26,28,31).

What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?

2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide has a molecular weight of 464.91 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 57387695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).