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

C25H17N5OS — CID 137113311

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

1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]thiophen-2-yl]ethanone (PubChem CID 137113311) has the molecular formula C25H17N5OS and a molecular weight of 435.51 g/mol. Its IUPAC name is 1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]thiophen-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]thiophen-2-yl]ethanone
• PubChem CID: 137113311
• Molecular Formula: C25H17N5OS
• Molecular Weight: 435.51 g/mol
• Exact Mass: 435.12
• IUPAC Name: 1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]thiophen-2-yl]ethanone
• SMILES: CC(=O)c1ccc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6ccncc6)cc45)cc23)s1
• InChI: InChI=1S/C25H17N5OS/c1-14(31)23-5-6-24(32-23)16-3-2-4-19-17(16)11-21(28-19)25-18-12-20(15-7-9-26-10-8-15)27-13-22(18)29-30-25/h2-13,28H,1H3,(H,29,30)
• InChIKey: XBAHYTYKSNOCDB-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.51
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]thiophen-2-yl]ethanone (CID 137113311) is 1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]thiophen-2-yl]ethanone.

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

The canonical SMILES for 1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6ccncc6)cc45)cc23)s1.

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

The InChIKey is XBAHYTYKSNOCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5OS/c1-14(31)23-5-6-24(32-23)16-3-2-4-19-17(16)11-21(28-19)25-18-12-20(15-7-9-26-10-8-15)27-13-22(18)29-30-25/h2-13,28H,1H3,(H,29,30).

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

1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]thiophen-2-yl]ethanone has a molecular weight of 435.51 g/mol, XLogP of 6.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 137113311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).