4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C18H14FN5 — CID 70757798

About 4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 70757798) has the molecular formula C18H14FN5 and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

• Compound Name: 4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
• PubChem CID: 70757798
• Molecular Formula: C18H14FN5
• Molecular Weight: 319.34 g/mol
• Exact Mass: 319.12
• IUPAC Name: 4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
• SMILES: Fc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)nc1
• InChI: InChI=1S/C18H14FN5/c19-12-4-5-16(22-10-12)15-9-17(24-18-14(15)6-8-21-18)23-11-13-3-1-2-7-20-13/h1-10H,11H2,(H2,21,23,24)
• InChIKey: APIYJGPUWUFUQK-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 66.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.34
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 70757798) is 4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

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

The canonical SMILES for 4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is Fc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)nc1.

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

The InChIKey is APIYJGPUWUFUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5/c19-12-4-5-16(22-10-12)15-9-17(24-18-14(15)6-8-21-18)23-11-13-3-1-2-7-20-13/h1-10H,11H2,(H2,21,23,24).

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

4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 319.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 70757798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).