5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine

C22H14N6S — CID 137103267

About 5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine

5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137103267) has the molecular formula C22H14N6S and a molecular weight of 394.46 g/mol. Its IUPAC name is 5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 137103267
• Molecular Formula: C22H14N6S
• Molecular Weight: 394.46 g/mol
• Exact Mass: 394.10
• IUPAC Name: 5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: c1cc(-c2ccsc2)c2cc(-c3n[nH]c4cnc(-c5cncnc5)cc34)[nH]c2c1
• InChI: InChI=1S/C22H14N6S/c1-2-15(13-4-5-29-11-13)16-6-20(26-18(16)3-1)22-17-7-19(14-8-23-12-24-9-14)25-10-21(17)27-28-22/h1-12,26H,(H,27,28)
• InChIKey: SDPMZQJFLOUNLH-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.46
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine (CID 137103267) is 5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine is c1cc(-c2ccsc2)c2cc(-c3n[nH]c4cnc(-c5cncnc5)cc34)[nH]c2c1.

What is the InChIKey of 5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is SDPMZQJFLOUNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N6S/c1-2-15(13-4-5-29-11-13)16-6-20(26-18(16)3-1)22-17-7-19(14-8-23-12-24-9-14)25-10-21(17)27-28-22/h1-12,26H,(H,27,28).

What are the key properties of 5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine?

5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 394.46 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137103267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).