4-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

C18H17N7 — CID 135335883

About 4-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

4-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135335883) has the molecular formula C18H17N7 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

• Compound Name: 4-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
• PubChem CID: 135335883
• Molecular Formula: C18H17N7
• Molecular Weight: 331.38 g/mol
• Exact Mass: 331.15
• IUPAC Name: 4-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
• SMILES: Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1Cc1ccccn1
• InChI: InChI=1S/C18H17N7/c1-11-22-15-6-5-14(12-8-16(19)24-17(20)9-12)23-18(15)25(11)10-13-4-2-3-7-21-13/h2-9H,10H2,1H3,(H4,19,20,24)
• InChIKey: WTOYPLUWZVKDKQ-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 108.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.38
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?

The IUPAC name of 4-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135335883) is 4-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

What is the SMILES notation for 4-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?

The canonical SMILES for 4-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1Cc1ccccn1.

What is the InChIKey of 4-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?

The InChIKey is WTOYPLUWZVKDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7/c1-11-22-15-6-5-14(12-8-16(19)24-17(20)9-12)23-18(15)25(11)10-13-4-2-3-7-21-13/h2-9H,10H2,1H3,(H4,19,20,24).

What are the key properties of 4-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?

4-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 331.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135335883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).