2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine

C23H15N5S — CID 137112329

About 2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine

2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 137112329) has the molecular formula C23H15N5S and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 137112329
• Molecular Formula: C23H15N5S
• Molecular Weight: 393.48 g/mol
• Exact Mass: 393.10
• IUPAC Name: 2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine
• SMILES: c1csc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)cc45)cc23)c1
• InChI: InChI=1S/C23H15N5S/c1-2-21(29-11-1)16-7-10-25-23-17(16)13-20(26-23)22-18-12-15(3-4-19(18)27-28-22)14-5-8-24-9-6-14/h1-13H,(H,25,26)(H,27,28)
• InChIKey: KGHCCUDKYCFWDR-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.48
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 137112329) is 2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine is c1csc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)cc45)cc23)c1.

What is the InChIKey of 2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is KGHCCUDKYCFWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5S/c1-2-21(29-11-1)16-7-10-25-23-17(16)13-20(26-23)22-18-12-15(3-4-19(18)27-28-22)14-5-8-24-9-6-14/h1-13H,(H,25,26)(H,27,28).

What are the key properties of 2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine?

2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 393.48 g/mol, XLogP of 5.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-pyridin-4-yl-1H-indazol-3-yl)-4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 137112329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).