5-(5-cyclohexyloxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine

C24H22N6O — CID 137041330

About 5-(5-cyclohexyloxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine

5-(5-cyclohexyloxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137041330) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-(5-cyclohexyloxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 5-(5-cyclohexyloxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 137041330
• Molecular Formula: C24H22N6O
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.19
• IUPAC Name: 5-(5-cyclohexyloxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
• SMILES: c1cnc2cc(-c3[nH]nc4ncc(-c5cncc(OC6CCCCC6)c5)cc34)[nH]c2c1
• InChI: InChI=1S/C24H22N6O/c1-2-5-17(6-3-1)31-18-9-15(12-25-14-18)16-10-19-23(29-30-24(19)27-13-16)22-11-21-20(28-22)7-4-8-26-21/h4,7-14,17,28H,1-3,5-6H2,(H,27,29,30)
• InChIKey: FHBHAQGBQQHQDN-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 92.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 137041330) is 5-(5-cyclohexyloxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.

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

The canonical SMILES for 5-(5-cyclohexyloxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is c1cnc2cc(-c3[nH]nc4ncc(-c5cncc(OC6CCCCC6)c5)cc34)[nH]c2c1.

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

The InChIKey is FHBHAQGBQQHQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-2-5-17(6-3-1)31-18-9-15(12-25-14-18)16-10-19-23(29-30-24(19)27-13-16)22-11-21-20(28-22)7-4-8-26-21/h4,7-14,17,28H,1-3,5-6H2,(H,27,29,30).

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

5-(5-cyclohexyloxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 410.48 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-cyclohexyloxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137041330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).