2-[[2-fluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-5-phosphanylphenyl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid

C30H27FN5O4P — CID 177189993

About 2-[[2-fluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-5-phosphanylphenyl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid

2-[[2-fluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-5-phosphanylphenyl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 177189993) has the molecular formula C30H27FN5O4P and a molecular weight of 571.55 g/mol. Its IUPAC name is 2-[[2-fluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-5-phosphanylphenyl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[2-fluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-5-phosphanylphenyl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid
• PubChem CID: 177189993
• Molecular Formula: C30H27FN5O4P
• Molecular Weight: 571.55 g/mol
• Exact Mass: 571.18
• IUPAC Name: 2-[[2-fluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-5-phosphanylphenyl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid
• SMILES: Cc1ccc(COc2cccc(-c3cc(F)c(Cc4nc5ccc(C(=O)O)nc5n4CC4CCO4)cc3P)n2)nc1
• InChI: InChI=1S/C30H27FN5O4P/c1-17-5-6-19(32-14-17)16-40-28-4-2-3-23(34-28)21-13-22(31)18(11-26(21)41)12-27-33-24-7-8-25(30(37)38)35-29(24)36(27)15-20-9-10-39-20/h2-8,11,13-14,20H,9-10,12,15-16,41H2,1H3,(H,37,38)
• InChIKey: KSEBBGHZWOWOHT-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 112.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.55
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-5-phosphanylphenyl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid?

The IUPAC name of 2-[[2-fluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-5-phosphanylphenyl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid (CID 177189993) is 2-[[2-fluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-5-phosphanylphenyl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid.

What is the SMILES notation for 2-[[2-fluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-5-phosphanylphenyl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid?

The canonical SMILES for 2-[[2-fluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-5-phosphanylphenyl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid is Cc1ccc(COc2cccc(-c3cc(F)c(Cc4nc5ccc(C(=O)O)nc5n4CC4CCO4)cc3P)n2)nc1.

What is the InChIKey of 2-[[2-fluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-5-phosphanylphenyl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid?

The InChIKey is KSEBBGHZWOWOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN5O4P/c1-17-5-6-19(32-14-17)16-40-28-4-2-3-23(34-28)21-13-22(31)18(11-26(21)41)12-27-33-24-7-8-25(30(37)38)35-29(24)36(27)15-20-9-10-39-20/h2-8,11,13-14,20H,9-10,12,15-16,41H2,1H3,(H,37,38).

What are the key properties of 2-[[2-fluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-5-phosphanylphenyl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid?

2-[[2-fluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-5-phosphanylphenyl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 571.55 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-fluoro-4-[6-[(5-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-5-phosphanylphenyl]methyl]-3-(oxetan-2-ylmethyl)imidazo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 177189993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).