4-[4-(1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C21H16N6O — CID 70758658

About 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

4-[4-(1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 70758658) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

• Compound Name: 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
• PubChem CID: 70758658
• Molecular Formula: C21H16N6O
• Molecular Weight: 368.40 g/mol
• Exact Mass: 368.14
• IUPAC Name: 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
• SMILES: c1cc(CNc2cc(-c3ccc(-c4nnco4)cc3)c3cc[nH]c3n2)ccn1
• InChI: InChI=1S/C21H16N6O/c1-3-16(21-27-25-13-28-21)4-2-15(1)18-11-19(26-20-17(18)7-10-23-20)24-12-14-5-8-22-9-6-14/h1-11,13H,12H2,(H2,23,24,26)
• InChIKey: ZVDZERZJIHSNLG-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 92.52 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	368.40
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 70758658) is 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

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

The canonical SMILES for 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is c1cc(CNc2cc(-c3ccc(-c4nnco4)cc3)c3cc[nH]c3n2)ccn1.

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

The InChIKey is ZVDZERZJIHSNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c1-3-16(21-27-25-13-28-21)4-2-15(1)18-11-19(26-20-17(18)7-10-23-20)24-12-14-5-8-22-9-6-14/h1-11,13H,12H2,(H2,23,24,26).

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

4-[4-(1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 368.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 70758658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).