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

C22H14N6OS — CID 137112581

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

5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol (PubChem CID 137112581) has the molecular formula C22H14N6OS and a molecular weight of 410.46 g/mol. Its IUPAC name is 5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol.

Molecular Properties

• Compound Name: 5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
• PubChem CID: 137112581
• Molecular Formula: C22H14N6OS
• Molecular Weight: 410.46 g/mol
• Exact Mass: 410.09
• IUPAC Name: 5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
• SMILES: Oc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)cncc5[nH]4)c3n2)c1
• InChI: InChI=1S/C22H14N6OS/c29-14-5-13(7-23-8-14)17-1-2-18-21(26-17)22(28-27-18)19-6-15-16(12-3-4-30-11-12)9-24-10-20(15)25-19/h1-11,25,29H,(H,27,28)
• InChIKey: FILQYHBSFDEOTK-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 103.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.46
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol (CID 137112581) is 5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol.

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

The canonical SMILES for 5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol is Oc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)cncc5[nH]4)c3n2)c1.

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

The InChIKey is FILQYHBSFDEOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N6OS/c29-14-5-13(7-23-8-14)17-1-2-18-21(26-17)22(28-27-18)19-6-15-16(12-3-4-30-11-12)9-24-10-20(15)25-19/h1-11,25,29H,(H,27,28).

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

5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol has a molecular weight of 410.46 g/mol, XLogP of 5.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol is sourced from PubChem (CID 137112581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).