4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine

C₁₉H₁₆N₄O — CID 25061056

About 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine

4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine (PubChem CID 25061056) has the molecular formula C₁₉H₁₆N₄O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine
• PubChem CID: 25061056
• Molecular Formula: C₁₉H₁₆N₄O
• Molecular Weight: 316.36 g/mol
• Exact Mass: 316.13
• IUPAC Name: 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine
• SMILES: COc1ccccc1-c1c[nH]c2ncc(-c3ccnc(N)c3)cc12
• InChI: InChI=1S/C19H16N4O/c1-24-17-5-3-2-4-14(17)16-11-23-19-15(16)8-13(10-22-19)12-6-7-21-18(20)9-12/h2-11H,1H3,(H2,20,21)(H,22,23)
• InChIKey: IFJBBJVLATZWQA-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 76.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.36
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine?

The IUPAC name of 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine (CID 25061056) is 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine.

What is the SMILES notation for 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine?

The canonical SMILES for 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine is COc1ccccc1-c1c[nH]c2ncc(-c3ccnc(N)c3)cc12.

What is the InChIKey of 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine?

The InChIKey is IFJBBJVLATZWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-24-17-5-3-2-4-14(17)16-11-23-19-15(16)8-13(10-22-19)12-6-7-21-18(20)9-12/h2-11H,1H3,(H2,20,21)(H,22,23).

What are the key properties of 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine?

4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine has a molecular weight of 316.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-2-amine is sourced from PubChem (CID 25061056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 25061056 — identifiers, structure, computed properties (public domain)

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