N-[[4-[2-(2-amino-3-pyridinyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formylphenyl)acetamide

C37H32FN7O3 — CID 176509449

About N-[[4-[2-(2-amino-3-pyridinyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formylphenyl)acetamide

N-[[4-[2-(2-amino-3-pyridinyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formylphenyl)acetamide (PubChem CID 176509449) has the molecular formula C37H32FN7O3 and a molecular weight of 641.71 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[[4-[2-(2-amino-3-pyridinyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formylphenyl)acetamide
• PubChem CID: 176509449
• Molecular Formula: C37H32FN7O3
• Molecular Weight: 641.71 g/mol
• Exact Mass: 641.26
• IUPAC Name: N-[[4-[2-(2-amino-3-pyridinyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formylphenyl)acetamide
• SMILES: Nc1ncccc1-c1nc2ccc(-c3cccc(N4CCOCC4)c3)nc2n1-c1ccc(CNC(=O)Cc2ccc(C=O)cc2F)cc1
• InChI: InChI=1S/C37H32FN7O3/c38-31-19-25(23-46)6-9-26(31)21-34(47)41-22-24-7-10-28(11-8-24)45-36(30-5-2-14-40-35(30)39)43-33-13-12-32(42-37(33)45)27-3-1-4-29(20-27)44-15-17-48-18-16-44/h1-14,19-20,23H,15-18,21-22H2,(H2,39,40)(H,41,47)
• InChIKey: PDRLDGXZDXGRCM-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 128.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.71
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formylphenyl)acetamide?

The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formylphenyl)acetamide (CID 176509449) is N-[[4-[2-(2-amino-3-pyridinyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formylphenyl)acetamide.

What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formylphenyl)acetamide?

The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formylphenyl)acetamide is Nc1ncccc1-c1nc2ccc(-c3cccc(N4CCOCC4)c3)nc2n1-c1ccc(CNC(=O)Cc2ccc(C=O)cc2F)cc1.

What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formylphenyl)acetamide?

The InChIKey is PDRLDGXZDXGRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32FN7O3/c38-31-19-25(23-46)6-9-26(31)21-34(47)41-22-24-7-10-28(11-8-24)45-36(30-5-2-14-40-35(30)39)43-33-13-12-32(42-37(33)45)27-3-1-4-29(20-27)44-15-17-48-18-16-44/h1-14,19-20,23H,15-18,21-22H2,(H2,39,40)(H,41,47).

What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formylphenyl)acetamide?

N-[[4-[2-(2-amino-3-pyridinyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formylphenyl)acetamide has a molecular weight of 641.71 g/mol, XLogP of 5.38, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-(2-amino-3-pyridinyl)-5-(3-morpholin-4-ylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(2-fluoro-4-formylphenyl)acetamide is sourced from PubChem (CID 176509449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).