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

C23H15N7O — CID 137040180

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

5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol (PubChem CID 137040180) has the molecular formula C23H15N7O and a molecular weight of 405.42 g/mol. Its IUPAC name is 5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol.

Molecular Properties

• Compound Name: 5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
• PubChem CID: 137040180
• Molecular Formula: C23H15N7O
• Molecular Weight: 405.42 g/mol
• Exact Mass: 405.13
• IUPAC Name: 5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
• SMILES: Oc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C23H15N7O/c31-16-4-14(8-25-10-16)15-5-18-22(29-30-23(18)27-9-15)20-6-17-19(11-26-12-21(17)28-20)13-2-1-3-24-7-13/h1-12,28,31H,(H,27,29,30)
• InChIKey: JSRYWHDGXBZARX-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 116.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.42
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol (CID 137040180) is 5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol.

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

The canonical SMILES for 5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol is Oc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.

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

The InChIKey is JSRYWHDGXBZARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N7O/c31-16-4-14(8-25-10-16)15-5-18-22(29-30-23(18)27-9-15)20-6-17-19(11-26-12-21(17)28-20)13-2-1-3-24-7-13/h1-12,28,31H,(H,27,29,30).

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

5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol has a molecular weight of 405.42 g/mol, XLogP of 4.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol is sourced from PubChem (CID 137040180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).