N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide

C24H24ClF3N8O4 — CID 168774302

About N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide

N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 168774302) has the molecular formula C24H24ClF3N8O4 and a molecular weight of 580.96 g/mol. Its IUPAC name is N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

• Compound Name: N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide
• PubChem CID: 168774302
• Molecular Formula: C24H24ClF3N8O4
• Molecular Weight: 580.96 g/mol
• Exact Mass: 580.16
• IUPAC Name: N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide
• SMILES: COCCNCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(F)(F)F)cn(C)c4=O)n(C)c3c2Cl)ccn1
• InChI: InChI=1S/C24H24ClF3N8O4/c1-35-12-13(24(26,27)28)8-15(22(35)38)32-23-34-21-20(36(23)2)19(25)16(10-31-21)40-14-4-5-30-17(9-14)33-18(37)11-29-6-7-39-3/h4-5,8-10,12,29H,6-7,11H2,1-3H3,(H,30,33,37)(H,31,32,34)
• InChIKey: PXVBDDUWGUPCGD-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 137.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.96
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide?

The IUPAC name of N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide (CID 168774302) is N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide.

What is the SMILES notation for N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide?

The canonical SMILES for N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(F)(F)F)cn(C)c4=O)n(C)c3c2Cl)ccn1.

What is the InChIKey of N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide?

The InChIKey is PXVBDDUWGUPCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N8O4/c1-35-12-13(24(26,27)28)8-15(22(35)38)32-23-34-21-20(36(23)2)19(25)16(10-31-21)40-14-4-5-30-17(9-14)33-18(37)11-29-6-7-39-3/h4-5,8-10,12,29H,6-7,11H2,1-3H3,(H,30,33,37)(H,31,32,34).

What are the key properties of N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide?

N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 580.96 g/mol, XLogP of 3.44, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 168774302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).