2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine

C19H12N8S — CID 137109924

About 2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine

2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine (PubChem CID 137109924) has the molecular formula C19H12N8S and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
• PubChem CID: 137109924
• Molecular Formula: C19H12N8S
• Molecular Weight: 384.43 g/mol
• Exact Mass: 384.09
• IUPAC Name: 2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
• SMILES: c1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)nc45)nc23)cs1
• InChI: InChI=1S/C19H12N8S/c1-2-14-17(23-13(1)11-5-21-22-6-11)18(27-26-14)19-24-15-8-20-7-12(16(15)25-19)10-3-4-28-9-10/h1-9H,(H,21,22)(H,24,25)(H,26,27)
• InChIKey: ZFHSMSFVUSTHEH-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 111.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.43
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?

The IUPAC name of 2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine (CID 137109924) is 2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?

The canonical SMILES for 2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine is c1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)nc45)nc23)cs1.

What is the InChIKey of 2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?

The InChIKey is ZFHSMSFVUSTHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N8S/c1-2-14-17(23-13(1)11-5-21-22-6-11)18(27-26-14)19-24-15-8-20-7-12(16(15)25-19)10-3-4-28-9-10/h1-9H,(H,21,22)(H,24,25)(H,26,27).

What are the key properties of 2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine?

2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine has a molecular weight of 384.43 g/mol, XLogP of 4.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137109924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).