5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

C21H14N8S — CID 137312330

About 5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 137312330) has the molecular formula C21H14N8S and a molecular weight of 410.47 g/mol. Its IUPAC name is 5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 137312330
• Molecular Formula: C21H14N8S
• Molecular Weight: 410.47 g/mol
• Exact Mass: 410.11
• IUPAC Name: 5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• SMILES: Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)nccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C21H14N8S/c22-12-8-11(9-23-10-12)13-3-4-15-18(25-13)20(29-28-15)21-26-14-5-6-24-19(17(14)27-21)16-2-1-7-30-16/h1-10H,22H2,(H,26,27)(H,28,29)
• InChIKey: IDETWVYCGOLENX-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 122.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.47
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The IUPAC name of 5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 137312330) is 5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

What is the SMILES notation for 5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The canonical SMILES for 5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)nccc5[nH]4)c3n2)c1.

What is the InChIKey of 5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The InChIKey is IDETWVYCGOLENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N8S/c22-12-8-11(9-23-10-12)13-3-4-15-18(25-13)20(29-28-15)21-26-14-5-6-24-19(17(14)27-21)16-2-1-7-30-16/h1-10H,22H2,(H,26,27)(H,28,29).

What are the key properties of 5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 410.47 g/mol, XLogP of 4.27, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 137312330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).