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

C23H21N7O — CID 137038891

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

5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol (PubChem CID 137038891) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol.

Molecular Properties

• Compound Name: 5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
• PubChem CID: 137038891
• Molecular Formula: C23H21N7O
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.18
• IUPAC Name: 5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
• SMILES: Oc1cncc(-c2cnc3n[nH]c(-c4cc5c(N6CCCCC6)ccnc5[nH]4)c3c2)c1
• InChI: InChI=1S/C23H21N7O/c31-16-8-14(11-24-13-16)15-9-18-21(28-29-23(18)26-12-15)19-10-17-20(4-5-25-22(17)27-19)30-6-2-1-3-7-30/h4-5,8-13,31H,1-3,6-7H2,(H,25,27)(H,26,28,29)
• InChIKey: QLICJKMSZRKMMX-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 106.61 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	411.47
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol (CID 137038891) is 5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol.

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

The canonical SMILES for 5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol is Oc1cncc(-c2cnc3n[nH]c(-c4cc5c(N6CCCCC6)ccnc5[nH]4)c3c2)c1.

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

The InChIKey is QLICJKMSZRKMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c31-16-8-14(11-24-13-16)15-9-18-21(28-29-23(18)26-12-15)19-10-17-20(4-5-25-22(17)27-19)30-6-2-1-3-7-30/h4-5,8-13,31H,1-3,6-7H2,(H,25,27)(H,26,28,29).

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

5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol has a molecular weight of 411.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol is sourced from PubChem (CID 137038891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).