2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid

C21H19N5O2 — CID 67312274

About 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid

2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid (PubChem CID 67312274) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid.

Molecular Properties

• Compound Name: 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid
• PubChem CID: 67312274
• Molecular Formula: C21H19N5O2
• Molecular Weight: 373.42 g/mol
• Exact Mass: 373.15
• IUPAC Name: 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid
• SMILES: CCC(C(=O)O)c1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1
• InChI: InChI=1S/C21H19N5O2/c1-2-15(21(27)28)13-7-9-14(10-8-13)26-19(16-5-3-11-23-18(16)22)25-17-6-4-12-24-20(17)26/h3-12,15H,2H2,1H3,(H2,22,23)(H,27,28)
• InChIKey: DGDHHMBYWLYRHM-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 106.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.42
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid?

The IUPAC name of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid (CID 67312274) is 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid.

What is the SMILES notation for 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid?

The canonical SMILES for 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid is CCC(C(=O)O)c1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1.

What is the InChIKey of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid?

The InChIKey is DGDHHMBYWLYRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-2-15(21(27)28)13-7-9-14(10-8-13)26-19(16-5-3-11-23-18(16)22)25-17-6-4-12-24-20(17)26/h3-12,15H,2H2,1H3,(H2,22,23)(H,27,28).

What are the key properties of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid?

2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid has a molecular weight of 373.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]butanoic acid is sourced from PubChem (CID 67312274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).