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

C29H20N6O2 — CID 138603433

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

3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 138603433) has the molecular formula C29H20N6O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 138603433
• Molecular Formula: C29H20N6O2
• Molecular Weight: 484.52 g/mol
• Exact Mass: 484.16
• IUPAC Name: 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: c1ccc(COc2cncc(-c3cc4c(-c5cc6c(-c7ccoc7)ccnc6[nH]5)n[nH]c4cn3)c2)cc1
• InChI: InChI=1S/C29H20N6O2/c1-2-4-18(5-3-1)16-37-21-10-20(13-30-14-21)25-12-24-27(15-32-25)34-35-28(24)26-11-23-22(19-7-9-36-17-19)6-8-31-29(23)33-26/h1-15,17H,16H2,(H,31,33)(H,34,35)
• InChIKey: OISSTNMUTBNBSK-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 105.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.52
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 138603433) is 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

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

The canonical SMILES for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is c1ccc(COc2cncc(-c3cc4c(-c5cc6c(-c7ccoc7)ccnc6[nH]5)n[nH]c4cn3)c2)cc1.

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

The InChIKey is OISSTNMUTBNBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N6O2/c1-2-4-18(5-3-1)16-37-21-10-20(13-30-14-21)25-12-24-27(15-32-25)34-35-28(24)26-11-23-22(19-7-9-36-17-19)6-8-31-29(23)33-26/h1-15,17H,16H2,(H,31,33)(H,34,35).

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

3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 484.52 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 138603433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).