5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine

C26H20N6O — CID 172571031

About 5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine

5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine (PubChem CID 172571031) has the molecular formula C26H20N6O and a molecular weight of 432.49 g/mol. Its IUPAC name is 5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine.

Molecular Properties

• Compound Name: 5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
• PubChem CID: 172571031
• Molecular Formula: C26H20N6O
• Molecular Weight: 432.49 g/mol
• Exact Mass: 432.17
• IUPAC Name: 5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
• SMILES: Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5ccc(OCc6ccccc6)nc5)cc34)cc12
• InChI: InChI=1S/C26H20N6O/c27-25-21-12-17(6-8-22(21)31-32-25)19-10-11-28-26-20(19)13-23(30-26)18-7-9-24(29-14-18)33-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,28,30)(H3,27,31,32)
• InChIKey: BJXIRFASRNHVHS-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 105.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.49
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine?

The IUPAC name of 5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine (CID 172571031) is 5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine.

What is the SMILES notation for 5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine?

The canonical SMILES for 5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine is Nc1n[nH]c2ccc(-c3ccnc4[nH]c(-c5ccc(OCc6ccccc6)nc5)cc34)cc12.

What is the InChIKey of 5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine?

The InChIKey is BJXIRFASRNHVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O/c27-25-21-12-17(6-8-22(21)31-32-25)19-10-11-28-26-20(19)13-23(30-26)18-7-9-24(29-14-18)33-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,28,30)(H3,27,31,32).

What are the key properties of 5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine?

5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine has a molecular weight of 432.49 g/mol, XLogP of 5.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(6-phenylmethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 172571031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).