N-(pyridin-2-ylmethyl)-4-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C20H16N8 — CID 56906338

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

N-(pyridin-2-ylmethyl)-4-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56906338) has the molecular formula C20H16N8 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-4-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

• Compound Name: N-(pyridin-2-ylmethyl)-4-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
• PubChem CID: 56906338
• Molecular Formula: C20H16N8
• Molecular Weight: 368.40 g/mol
• Exact Mass: 368.15
• IUPAC Name: N-(pyridin-2-ylmethyl)-4-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
• SMILES: c1ccc(CNc2cc(-c3ccc(-c4nn[nH]n4)cc3)c3cc[nH]c3n2)nc1
• InChI: InChI=1S/C20H16N8/c1-2-9-21-15(3-1)12-23-18-11-17(16-8-10-22-20(16)24-18)13-4-6-14(7-5-13)19-25-27-28-26-19/h1-11H,12H2,(H2,22,23,24)(H,25,26,27,28)
• InChIKey: TTXDNUVAQAGBHY-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 108.06 Ų
• H-Bond Donors: 3
• 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	3.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(pyridin-2-ylmethyl)-4-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56906338) is N-(pyridin-2-ylmethyl)-4-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

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

The canonical SMILES for N-(pyridin-2-ylmethyl)-4-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is c1ccc(CNc2cc(-c3ccc(-c4nn[nH]n4)cc3)c3cc[nH]c3n2)nc1.

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

The InChIKey is TTXDNUVAQAGBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8/c1-2-9-21-15(3-1)12-23-18-11-17(16-8-10-22-20(16)24-18)13-4-6-14(7-5-13)19-25-27-28-26-19/h1-11H,12H2,(H2,22,23,24)(H,25,26,27,28).

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

N-(pyridin-2-ylmethyl)-4-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 368.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(pyridin-2-ylmethyl)-4-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56906338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).