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

C28H24N6O2 — CID 137311000

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

5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137311000) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 137311000
• Molecular Formula: C28H24N6O2
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.20
• IUPAC Name: 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
• SMILES: c1cc2[nH]c(-c3[nH]nc4ncc(-c5cncc(OC6CCCCC6)c5)cc34)cc2c(-c2ccoc2)n1
• InChI: InChI=1S/C28H24N6O2/c1-2-4-20(5-3-1)36-21-10-18(13-29-15-21)19-11-23-27(33-34-28(23)31-14-19)25-12-22-24(32-25)6-8-30-26(22)17-7-9-35-16-17/h6-16,20,32H,1-5H2,(H,31,33,34)
• InChIKey: BRVUZVWUFWMLLW-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 105.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine (CID 137311000) is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine.

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

The canonical SMILES for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine is c1cc2[nH]c(-c3[nH]nc4ncc(-c5cncc(OC6CCCCC6)c5)cc34)cc2c(-c2ccoc2)n1.

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

The InChIKey is BRVUZVWUFWMLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-2-4-20(5-3-1)36-21-10-18(13-29-15-21)19-11-23-27(33-34-28(23)31-14-19)25-12-22-24(32-25)6-8-30-26(22)17-7-9-35-16-17/h6-16,20,32H,1-5H2,(H,31,33,34).

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

5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 476.54 g/mol, XLogP of 6.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137311000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).