N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide

C33H25FN6O3 — CID 169175530

About N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide

N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide (PubChem CID 169175530) has the molecular formula C33H25FN6O3 and a molecular weight of 572.60 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide
• PubChem CID: 169175530
• Molecular Formula: C33H25FN6O3
• Molecular Weight: 572.60 g/mol
• Exact Mass: 572.20
• IUPAC Name: N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide
• SMILES: Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CNC(=O)Cc2ccc(C=O)c(O)c2F)cc1
• InChI: InChI=1S/C33H25FN6O3/c34-29-22(10-11-23(19-41)30(29)43)17-28(42)37-18-20-8-12-24(13-9-20)40-32(25-7-4-16-36-31(25)35)39-27-15-14-26(38-33(27)40)21-5-2-1-3-6-21/h1-16,19,43H,17-18H2,(H2,35,36)(H,37,42)
• InChIKey: KXUQXSPJUZEAKI-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 136.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.60
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide?

The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide (CID 169175530) is N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide.

What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide?

The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide is Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CNC(=O)Cc2ccc(C=O)c(O)c2F)cc1.

What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide?

The InChIKey is KXUQXSPJUZEAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25FN6O3/c34-29-22(10-11-23(19-41)30(29)43)17-28(42)37-18-20-8-12-24(13-9-20)40-32(25-7-4-16-36-31(25)35)39-27-15-14-26(38-33(27)40)21-5-2-1-3-6-21/h1-16,19,43H,17-18H2,(H2,35,36)(H,37,42).

What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide?

N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide has a molecular weight of 572.60 g/mol, XLogP of 5.25, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formyl-3-hydroxyphenyl)acetamide is sourced from PubChem (CID 169175530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).